matter.farm

Computer-generated molecule database for public drug discovery. About this project.

These compounds may interact with:

Serine/threonine-protein kinase Chk1

Potentially involved in: carcinoma; cancer; ataxia telangiectasia; seckel syndrome; aplastic anemia; nijmegen breakage syndrome; polyploidy; schizophrenia; mammary neoplasms; adrenocortical carcinoma; adult high grade glioma; atopic dermatitis; atypical teratoid / rhabdoid tumor; breast cancer; colon cancer; cystic fibrosis; ductal carcinoma in situ; endometriosis; ependymoma; glioblastoma

Disease data sourced from Pharos.

Inhibitor

FORMULA:C24H19F3N6O

SMILES: NC(=O)c1cccc(-c2ccc(CNc3ncc(C(F)(F)F)c(-c4cccc(N)n4)n3)cc2)c1

BIRTHDAY: 2018-12-01T14:11:04.078116
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C24H23N5O3

SMILES: COc1ccc(-c2ccc(CNC(=O)c3ccc(NCCC(N)=O)nc3C#N)cc2)cc1

BIRTHDAY: 2018-12-01T14:11:04.087780
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C15H12N4O3

SMILES: NC(=O)c1ccc(Nc2ccc3c(=O)[nH][nH]c(=O)c3c2)cc1

BIRTHDAY: 2018-12-01T14:11:04.096094
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C29H30ClN3O2

SMILES: COc1cccc(-c2cnn(-c3ccccc3Cl)c2-c2ccc(OC[C@H](C)N3CCCC3)cc2)c1

BIRTHDAY: 2018-12-01T14:11:04.106311
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C21H20N6O

SMILES: NC(=O)c1c(-c2ccccc2C(N)(N)Cc2ccccn2)ccc2nc[nH]c12

BIRTHDAY: 2018-12-01T14:11:04.115677
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C24H19F3N6O

SMILES: NC(=O)c1cccc(-c2cccc(CNc3ncc(C(F)(F)F)c(-c4cccc(N)n4)n3)c2)c1

BIRTHDAY: 2018-12-01T14:11:04.126507
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C20H21F3N6O2

SMILES: C[C@@H](N)n1nccc1NC(=O)c1ccccc1C(N)(N)c1ccccc1OC(F)(F)F

BIRTHDAY: 2018-12-01T14:11:04.137426
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C27H26N4O3

SMILES: NC(=O)c1ccc(-c2ccc(CNCc3cc4ccccc4nc3CNCC(=O)O)cc2)cc1

BIRTHDAY: 2018-12-01T14:11:04.147331
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C25H36N6O3

SMILES: COc1cccc(CNc2c(NC3CCCC3)ncnc2C(=O)NC(C)(C)N2CCOCC2)c1

BIRTHDAY: 2018-12-01T14:11:04.157767
ATC: H03B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- THYROID THERAPY
- ANTITHYROID PREPARATIONS
Synthesis Plan
FORMULA:C24H18F3N3O2

SMILES: COc1ccccc1-c1c[nH]nc1-c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1

BIRTHDAY: 2018-12-01T14:11:04.167842
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C21H18N6OS

SMILES: NC(=O)c1cccc(-c2ccc(CNc3ncncc3C3=NN=CSC3)cc2)c1

BIRTHDAY: 2018-12-01T14:11:04.177411
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H13N5OS

SMILES: N#Cc1sc2c(c1NC(=O)c1ccncc1)[C@@]1(c3ccn[nH]3)C=CC=CC1=C2

BIRTHDAY: 2018-12-01T14:11:04.187110
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C28H30N4O2

SMILES: COc1ccc(-c2cc(-c3cccc(OCC[C@@]4(N)CCCN4)c3)nn2-c2ccccc2)cc1

BIRTHDAY: 2018-12-01T14:11:04.196974
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C20H20N6OS

SMILES: C[C@H](c1cn[nH]c1NC(=O)c1ncsc1-c1ccccc1C#N)N1CCCC1

BIRTHDAY: 2018-12-01T14:11:04.206771
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C15H16Cl2N2O

SMILES: N[C@H](c1cc(Cl)cc(Cl)c1)N1C[C@@H]2[C@@H]3C[C@H]1[C@H]2CC3=O

BIRTHDAY: 2018-12-01T14:11:04.214574
ATC: C02B
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, GANGLION-BLOCKING
Synthesis Plan
FORMULA:C20H24N6O2

SMILES: COc1ccccc1C(N)(N)c1ccccc1C(=O)Nc1ccnn1[C@H](C)N

BIRTHDAY: 2018-12-01T14:11:04.224093
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C16H24N6

SMILES: CC(C)(C)c1n[nH]cc1-c1ccnc(NC2CCNCC2)n1

BIRTHDAY: 2018-12-01T14:11:04.232175
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H25F3N6O2

SMILES: Nc1cnccc1-c1ncnc(C(F)(F)F)c1NCc1ccccc1-c1ccccc1C(=O)N1CCOCC1

BIRTHDAY: 2018-12-01T14:11:04.244676
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C29H31N3O2

SMILES: COc1ccc(-c2cc(-c3ccc(OCCCN4CCCC4)cc3)n(-c3ccccc3)n2)cc1

BIRTHDAY: 2018-12-01T14:11:04.253974
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C25H35N7O2

SMILES: NC(=O)c1cccc(Nc2cccc3c2NCCNCCNCCN2CCCC[C@H]2C(=O)N3)c1

BIRTHDAY: 2018-12-25T02:03:07.554789
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C23H16ClN3O

SMILES: NC(=O)c1cccc(-c2ccc(-c3[nH]nc4c3Cc3cc(Cl)ccc3-4)cc2)c1

BIRTHDAY: 2018-12-25T02:03:07.563551
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H26N6O2

SMILES: COc1ccccc1C(N)(N)c1cccc(C(=O)Nc2cncnc2NC(C)C)c1

BIRTHDAY: 2018-12-25T02:03:07.573290
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C29H31N5O2

SMILES: CC(C)(C)c1ccc(-c2ccc(-c3noc(CCNc4ccc(C5=CCCON5)cn4)n3)cc2)cc1

BIRTHDAY: 2018-12-25T02:03:07.594801
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C23H29N5O2

SMILES: COc1cccc(CNCc2ccc(C(=O)Nc3cnn(CCN(C)C)c3)cc2)c1

BIRTHDAY: 2018-12-25T02:03:07.604140
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H21N5O

SMILES: NC(=O)c1cc(-c2ccc(CNCCc3ccccn3)cc2)cc2[nH]cnc12

BIRTHDAY: 2018-12-25T02:03:07.613008
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C23H27N5O2

SMILES: COc1ccc(CNCc2ccc(C(=O)Nc3ccnc(NC(C)C)n3)cc2)cc1

BIRTHDAY: 2018-12-25T02:03:07.622208
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C25H23N5O2

SMILES: COc1ccc(CNCc2ccc(C(=O)Nc3ccnc(-c4cccnc4)n3)cc2)cc1

BIRTHDAY: 2018-12-25T02:03:07.642896
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C26H24N4O4

SMILES: COc1ccc(CNCc2ccc(C(=O)Nc3ccc(-c4cn[nH]c4)cc3C(=O)O)cc2)cc1

BIRTHDAY: 2018-12-25T02:03:07.653418
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C29H31N3O

SMILES: NC(=O)c1cccc(-c2ccccc2[C@]2(N)C[C@@H]3C[C@@H]4CCN3C[C@@H]4[C@@H]2c2ccccc2)c1

BIRTHDAY: 2018-12-25T02:03:07.663672
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C26H30F3N5O2

SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n(-c2ccc(CN3CCOCC3)cc2)n1

BIRTHDAY: 2018-12-25T02:03:07.675039
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H22N4O3

SMILES: COc1ccc(C(N)(N)c2ccccc2C(=O)Nc2ccccc2C#N)c(OC)c1

BIRTHDAY: 2018-12-25T02:03:07.684827
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C24H21F3N4O2

SMILES: NC(=O)c1cc2c(c(Nc3cccc(C(=O)NCc4ccccc4C(F)(F)F)c3)c1)NCC2

BIRTHDAY: 2018-12-25T02:03:07.695388
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C23H28N4O2

SMILES: C[C@H](NC(=O)c1cccc2c1CC=C1C=CC=C[C@]13[C@H]2C=NN3[C@@H](C)O)N(C)C

BIRTHDAY: 2018-12-25T02:03:07.704869
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C21H17N5O3

SMILES: Cn1cc(-c2nc3cc(-c4cccc(C(N)=O)c4)cc(C(N)=O)c3[nH]2)ccc1=O

BIRTHDAY: 2018-12-25T02:03:07.714641
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C30H32N8O

SMILES: CC(C)n1cnc2nc(NCc3cccc(-c4ccccc4C(=O)N(C)C)c3)nc(NCc3ccncc3)c21

BIRTHDAY: 2018-12-25T02:03:07.726442
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C28H57NO3

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)CO

BIRTHDAY: 2018-12-25T02:03:07.734098
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H12N4OS2

SMILES: N#Cc1c(NC(=O)Nc2ccc(-c3cccnc3)cc2)sc2ccsc12

BIRTHDAY: 2018-12-25T02:03:07.743111
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H25N3O3

SMILES: NC(=O)c1cccc(-c2cccc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c2)c1

BIRTHDAY: 2018-12-03T02:39:11.125249
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C26H29N3O2

SMILES: CC(C)Cc1ccc(-c2ccc(C(=O)Nc3cccc(N4CCOCC4)n3)cc2)cc1

BIRTHDAY: 2018-12-03T02:39:11.134013
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C24H19F3N6O

SMILES: NC(=O)c1cccc(-c2ccccc2CNc2ncc(C(F)(F)F)c(-c3ccnc(N)c3)n2)c1

BIRTHDAY: 2018-12-03T02:39:11.145173
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C25H32N2O4

SMILES: CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCCCCCCC(=O)O)cc1

BIRTHDAY: 2018-12-03T02:39:11.154490
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C23H23NO2

SMILES: CC(C)Cc1ccccc1-c1cccc(C(N)=O)c1-c1ccccc1O

BIRTHDAY: 2018-12-03T02:39:11.162899
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C21H25N5O2

SMILES: COc1cccc(CNCc2cccc(C(=O)Nc3cnn(CCN)c3)c2)c1

BIRTHDAY: 2018-12-03T02:39:11.171729
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H55NO3

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)NC(CO)CO

BIRTHDAY: 2018-12-03T02:39:11.179324
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C20H24N6O2

SMILES: COc1ccccc1C(N)(N)c1ccccc1C(=O)Nc1ccnn1[C@@H](C)N

BIRTHDAY: 2018-12-03T02:39:11.188832
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C31H55N3O

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1ccccc1C(=N)N

BIRTHDAY: 2018-12-03T02:39:11.197213
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C26H38N6O2

SMILES: COc1ccccc1CNc1ncc(C(=O)NCCCN2CCCCC2)c(NC2CCCC2)n1

BIRTHDAY: 2018-12-03T02:39:11.207389
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C22H28N6O2

SMILES: COc1ccccc1C(N)(N)c1ccccc1C(=O)Nc1ccn([C@@H](C)N(C)C)n1

BIRTHDAY: 2018-12-03T02:39:11.217150
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C37H59N5O3

SMILES: CN(Cc1cccc2c1OCO2)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)NC(=O)c1nc2c([nH]1)NCC=C2

BIRTHDAY: 2018-12-03T02:39:11.228749
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C23H18F3N3O3

SMILES: CNC(=O)c1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)c1

BIRTHDAY: 2018-12-03T02:39:11.249271
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H23N5O4

SMILES: COc1ccccc1C(N)(N)c1ccccc1C(=O)Nc1cccc(C(=O)O)c1-c1ccn[nH]1

BIRTHDAY: 2018-12-03T02:39:11.260304
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H24N6O2

SMILES: COc1ccccc1C(N)(N)c1ccccc1C(=O)Nc1ccn([C@@H](C)N)n1

BIRTHDAY: 2018-12-03T02:39:11.280956
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C16H24N6

SMILES: CC(C)(C)c1[nH]ncc1-c1ccnc(NC2CCNCC2)n1

BIRTHDAY: 2018-12-03T02:39:11.289060
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C27H21FN4O4

SMILES: Nc1cc(Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc(C(=O)Nc2cccc(F)c2)c1

BIRTHDAY: 2018-12-03T02:39:11.300382
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C34H61NO4

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cc(OC)c(OC)c(OC)c1

BIRTHDAY: 2018-12-03T02:39:11.309717
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C21H21ClN6O

SMILES: CN(C)CCNC(=O)c1ccc2c(c1)C(c1ccccc1Cl)=Nc1cn[nH]c1N2

BIRTHDAY: 2018-11-30T03:41:08.225230
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C32H34N8O2

SMILES: CC(C)n1cnc2c(NCc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cc3)nc(NCc3ccccn3)nc21

BIRTHDAY: 2018-11-30T03:41:08.237665
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis plan pending
FORMULA:C29H31N3O2

SMILES: COc1ccccc1-c1cc(-c2ccccc2OC(C)(C)N2CCCC2)nn1-c1ccccc1

BIRTHDAY: 2018-11-30T03:41:08.247821
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C37H35FN4O4

SMILES: COc1ccccc1-c1ccc2cc1CN(CC(=O)NCc1ccc(F)cc1)CCNCC(=O)Nc1cccc3ccc(cc13)O2

BIRTHDAY: 2018-11-30T03:41:08.260633
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis plan pending
FORMULA:C28H21F3N4O4

SMILES: NC(=O)c1ccc(Nc2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1Nc1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-11-30T03:41:08.272878
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:C25H26N6O3

SMILES: NC(=O)c1ccccc1-c1ccccc1C(N)(N)C1=C2C=CC=C[C@@]2(C(N)(N)C(=O)O)CN=C1

BIRTHDAY: 2018-11-30T03:41:08.284269
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis plan pending
FORMULA:C25H27N7O

SMILES: C[C@@H](c1noc(-c2ccccc2-c2ccccc2C(C)(C)C)n1)N1C=N[C@H]2N=CN=C[C@@]21N

BIRTHDAY: 2018-11-30T03:41:08.295198
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis plan pending
FORMULA:C26H19N5O

SMILES: N#Cc1cccc(-c2cccc(CNc3ncnc4c3oc3ncc(C5CC5)cc34)c2)c1

BIRTHDAY: 2018-11-30T03:41:08.304750
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis plan pending
FORMULA:C24H19F3N6O

SMILES: NC(=O)c1ccc(-c2ccccc2CNc2ncc(-c3ccc(N)nc3)c(C(F)(F)F)n2)cc1

BIRTHDAY: 2018-11-30T03:41:08.315752
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis plan pending
FORMULA:C30H40N6O

SMILES: CC(C)Cc1ccccc1-c1cccc(CNc2c(NC3CCCC3)ncnc2C(=O)NC(C)(C)N)c1

BIRTHDAY: 2018-11-30T03:41:08.326008
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis plan pending
FORMULA:C27H22N4O4

SMILES: COc1ccccc1-c1ccccc1CNC(=O)c1c(C#N)ncc(N)c1-c1cccc(O)c1O

BIRTHDAY: 2018-11-30T03:41:08.336422
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C27H21FN4O4

SMILES: Nc1cc(Nc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)cc(C(=O)Nc2cccc(F)c2)c1

BIRTHDAY: 2018-11-30T03:41:08.367098
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C36H36N6O2

SMILES: COc1ccccc1C(N)(N)c1cccc(-c2cnc3nc2-c2cccc(c2)COCC=CCNCc2cccc(c2)N3)c1

BIRTHDAY: 2018-11-30T03:41:08.379397
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C25H27N7O

SMILES: C[C@H](c1noc(-c2ccccc2-c2cccc(C(C)(C)C)c2)n1)N1C=N[C@@H]2N=CN=C[C@]21N

BIRTHDAY: 2018-11-30T03:41:08.390235
ATC: H02A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
Synthesis plan pending
FORMULA:C20H22N4O4

SMILES: COc1ccc([C@@H]2ONN3c4cc(N5CCNCC5)ccc4OC(=O)[C@@H]23)cc1

BIRTHDAY: 2018-11-19T08:18:31.485065
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C17H28N6O2

SMILES: CC(C)C(=O)Nc1n[nH]c2c1N(C(=O)[C@@]1(N)CCCCN1)C(C)(C)C2

BIRTHDAY: 2018-11-19T08:18:31.505775
ATC: B05A
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- BLOOD AND RELATED PRODUCTS
Synthesis Plan
FORMULA:C28H24ClN5O

SMILES: NC(=O)c1cc(-c2ccc(CNCCc3ccccn3)cc2)cc2nc(-c3ccccc3Cl)[nH]c12

BIRTHDAY: 2018-11-19T08:18:31.516080
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C21H20N6O

SMILES: NC(=O)c1ccc(-c2ccc(C(N)(N)Cc3cccnc3)cc2)c2[nH]cnc12

BIRTHDAY: 2018-11-19T08:18:31.525297
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H23N5O2

SMILES: COc1ccc(CNCc2ccc(C(=O)Nc3nccc(-c4cccnc4)n3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:31.535063
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H19F3N4O2

SMILES: NC(=O)c1cc(N)ccc1Nc1ccccc1C(=O)NCc1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-11-19T08:18:31.545347
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C28H36N6O

SMILES: CC(C)c1ccccc1-c1cccc(CNc2c(NC3CCCC3)ncnc2C(=O)N[C@@H](C)N)c1

BIRTHDAY: 2018-11-19T08:18:31.555760
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H46N6O6

SMILES: CC(C)[C@H](N)C(=O)N[C@@H](C(=O)N[C@@H](CO)C(N)=O)[C@H](C)C(=O)NC(C)(C)C(C)(C)C(C)(C)CC(N)=O

BIRTHDAY: 2018-11-19T08:18:31.567131
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C34H64N2

SMILES: C[C@H](N)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)Cc1ccccc1

BIRTHDAY: 2018-11-19T08:18:31.575348
ATC: L02A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONES AND RELATED AGENTS
Synthesis Plan
FORMULA:C20H19F3N4O2

SMILES: C[C@H](NC(=O)c1cccc(-c2cccc(-c3nc(C(F)(F)F)no3)c2)c1)N(C)C

BIRTHDAY: 2018-11-19T08:18:31.585219
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C18H29N5O2

SMILES: CCCC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C

BIRTHDAY: 2018-11-19T08:18:31.594246
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C22H28N6O2

SMILES: COc1ccc(C(N)(N)c2ccccc2C(=O)Nc2ccn([C@@H](C)N(C)C)n2)cc1

BIRTHDAY: 2018-11-19T08:18:31.604349
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis Plan
FORMULA:C24H19F3N6O

SMILES: NC(=O)c1ccccc1-c1ccccc1CNc1c(-c2ccncc2N)ncnc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:18:31.615461
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C23H26F3N3O2

SMILES: CC(C)(NC(=O)c1ccccc1NC(=O)c1ccccc1C(F)(F)F)N1CCCCC1

BIRTHDAY: 2018-11-19T08:18:31.625585
ATC: N01B
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, LOCAL
Synthesis Plan
FORMULA:C21H13N5OS

SMILES: N#Cc1sc2c(c1NC(=O)c1ccccn1)C=C1C=CC=C[C@]12c1ccn[nH]1

BIRTHDAY: 2018-11-19T08:18:31.644396
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C25H36N6O3

SMILES: COc1ccccc1CNc1ncc(C(=O)NCCCN2CCOCC2)c(NC2CCCC2)n1

BIRTHDAY: 2018-11-19T08:18:31.654989
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C22H24F3N5O

SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccccc2C(F)(F)F)nn1-c1ccccc1CN

BIRTHDAY: 2018-11-19T08:18:31.675875
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H14N4S

SMILES: N#Cc1ccccc1-c1ccccc1CNc1ncnc2sccc12

BIRTHDAY: 2018-11-19T08:18:31.684292
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C28H25F3N6O2

SMILES: Nc1cccc(-c2nc(NCc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cc3)ncc2C(F)(F)F)n1

BIRTHDAY: 2018-11-19T08:18:31.707402
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C19H27N5O

SMILES: CC(C)(C)c1c[nH]nc1C(=O)N[C@H]1CCC[C@@](N)(c2ccccc2)N1

BIRTHDAY: 2018-11-19T08:18:31.716250
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H19F3N6O

SMILES: NC(=O)c1ccccc1-c1ccc(CNc2c(-c3ccncc3N)ncnc2C(F)(F)F)cc1

BIRTHDAY: 2018-11-19T08:18:31.727452
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C22H28N6O2

SMILES: COc1ccccc1C(N)(N)c1ccccc1C(=O)Nc1ccn([C@H](C)N(C)C)n1

BIRTHDAY: 2018-11-19T08:18:31.737350
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C20H18N4

SMILES: N#Cc1cccc(-c2ccc(C(N)(N)Cc3cccnc3)cc2)c1

BIRTHDAY: 2018-11-19T08:18:31.745027
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C24H22N6O2

SMILES: COc1ccccc1C(N)(N)c1ccccc1C(=O)Nc1cncnc1-c1ccncc1

BIRTHDAY: 2018-11-19T08:18:31.755574
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C32H36F3N5O

SMILES: CC(C)(C)c1c(NC(=O)Nc2ccccc2C(F)(F)F)cnn1-c1ccccc1[C@@H]1[C@H]2CC[C@H]3[C@H](C=CCCN31)C2

BIRTHDAY: 2018-11-19T08:18:31.768329
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C26H24FN7O

SMILES: CN(C)CCNC(=O)c1ccc2c(c1)C(c1ccccc1F)=Nc1c(-c3ccncc3)n[nH]c1N2

BIRTHDAY: 2018-11-19T08:18:31.779307
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C18H30N6O2

SMILES: CC(C)CC(=O)Nc1n[nH]c2c1N(C(=O)[C@]1(N)CCCNC1)CC2(C)C

BIRTHDAY: 2018-11-19T08:18:31.788957
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C32H60N2

SMILES: C[C@@H](CCCCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CN)CCN(C)Cc1ccccc1

BIRTHDAY: 2018-11-19T08:18:31.796960
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C29H59NO2

SMILES: C[C@@H](O)NC(=O)CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:18:31.814762
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H23N5O2

SMILES: COc1ccc(CNCc2ccc(C(=O)Nc3nccc(-c4ccccn4)n3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:31.834536
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C28H24F3N3O2

SMILES: O=C(Nc1ccccc1C(F)(F)F)c1ccccc1CNCc1ccccc1OCc1cccnc1

BIRTHDAY: 2018-11-19T08:18:31.845843
ATC: P03A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis Plan
FORMULA:C31H55N3O

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@H](C)C(=O)Nc1ccccc1C(=N)N

BIRTHDAY: 2018-11-19T08:18:31.862929
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H27N3

SMILES: CC(C)c1ccccc1-c1cccc(C(N)(N)Cc2ccccc2N)c1

BIRTHDAY: 2018-11-19T08:18:31.870998
ATC: M09A
- MUSCULO-SKELETAL SYSTEM
- OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
- OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
Synthesis Plan
FORMULA:C26H27N5O2

SMILES: CC(C)(C)c1ccc(-c2ccc(-c3noc(CCNc4ccc(C(N)=O)cn4)n3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:31.880861
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C29H30ClN3O2

SMILES: COc1ccccc1-c1cc(-c2ccccc2OC(C)(C)N2CCCC2)nn1-c1cccc(Cl)c1

BIRTHDAY: 2018-11-19T08:18:31.901009
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C19H17N7O2

SMILES: Cc1ccccc1-c1[nH]nc2c1-c1cc(NC(=O)N(N)C(=N)N)ccc1C2=O

BIRTHDAY: 2018-11-19T08:18:31.911226
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C24H19F3N4O2

SMILES: NC(=O)c1cc(Nc2ccc(C(=O)NCc3ccccc3C(F)(F)F)cc2)c2[nH]ccc2c1

BIRTHDAY: 2018-11-19T08:18:31.921669
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C16H24N6

SMILES: CC(C)(C)c1cn[nH]c1-c1ncc(N[C@H]2CCCCN2)cn1

BIRTHDAY: 2018-11-19T08:18:31.929703
ATC: S01L
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OCULAR VASCULAR DISORDER AGENTS
Synthesis Plan
FORMULA:C30H61NO3

SMILES: CC(C)CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)CO

BIRTHDAY: 2018-11-19T08:18:31.937591
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C23H21N3O

SMILES: CC(C)Cc1ccc(-c2ccc(C(=O)Nc3ccc(C#N)cn3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:31.945405
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H19F3N6O

SMILES: NC(=O)c1cccc(-c2ccc(CNc3ncc(C(F)(F)F)c(-c4ccc(N)nc4)n3)cc2)c1

BIRTHDAY: 2018-11-19T08:18:31.956353
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H23N5O2

SMILES: COc1ccc(CNCc2ccc(C(=O)Nc3ccnc(-c4ccccn4)n3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:31.974494
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C26H24N4O2

SMILES: C[C@@H](Oc1ccccc1-c1c(-c2ccccc2C#N)nn2ccccc12)N1CCOCC1

BIRTHDAY: 2018-11-19T08:18:31.984321
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C19H31N5O2

SMILES: CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C

BIRTHDAY: 2018-11-19T08:18:31.993459
ATC: C02B
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, GANGLION-BLOCKING
Synthesis Plan
FORMULA:C24H19F3N6O

SMILES: NC(=O)c1cccc(-c2cccc(CNc3ncc(C(F)(F)F)c(-c4ccc(N)nc4)n3)c2)c1

BIRTHDAY: 2018-11-19T08:18:32.004459
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C12H13ClN4

SMILES: CC1=C[C@]23C=C(Cl)C=C[C@@]2(C=C1)N=C(N)NN3

BIRTHDAY: 2018-11-19T08:18:32.012244
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C16H24N6

SMILES: CC(C)(C)c1cn[nH]c1-c1ncc(N[C@@H]2CCCCN2)cn1

BIRTHDAY: 2018-11-19T08:18:32.020239
ATC: S01L
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OCULAR VASCULAR DISORDER AGENTS
Synthesis Plan
FORMULA:C24H19N7O3

SMILES: Cn1cc2nc(-c3ccnc(NCc4ccc(-c5ccc(C(N)=O)cc5)cc4)n3)oc(=O)c2n1

BIRTHDAY: 2018-11-19T08:18:32.031276
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C21H23N3O3

SMILES: COc1ccc([CH-]NCc2ccc(C(=O)NC3=[NH+]C(=O)CCC3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:32.040145
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C23H29N5O2

SMILES: COc1ccc(CNCc2ccc(C(=O)Nc3cnn(CCN(C)C)c3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:32.062470
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H17N3O3

SMILES: COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1

BIRTHDAY: 2018-11-19T08:18:32.080639
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C28H21F3N4O4

SMILES: NC(=O)c1cccc(Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)c1Nc1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-11-19T08:18:32.095559
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C18H30N6O2

SMILES: CC(C)CC(=O)Nc1n[nH]c2c1N(C(=O)[C@@]1(N)CCCNC1)CC2(C)C

BIRTHDAY: 2018-11-19T08:18:32.105207
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C23H25N5OS

SMILES: C[C@@H](c1cn[nH]c1NC(=O)c1scnc1-c1cccc2c1CCC=C2)N1CCCC1

BIRTHDAY: 2018-11-19T08:18:32.115213
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C15H13N3O2

SMILES: CC(=O)Nc1n[nH]c2cc(-c3cccc(O)c3)ccc12

BIRTHDAY: 2018-11-19T08:18:32.122666
ATC: G03G
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- GONADOTROPINS AND OTHER OVULATION STIMULANTS
Synthesis Plan
FORMULA:C15H11N3OS

SMILES: N#CC1=C(NC(=O)c2ccccn2)C=CS12C=CC=C2

BIRTHDAY: 2018-11-19T08:18:32.130311
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C29H28N6O

SMILES: CC(C)Cc1ccccc1-c1ccccc1[C@@]1(N)Nc2[nH]ncc2N(Cc2ccccc2C#N)C1=O

BIRTHDAY: 2018-11-19T08:18:32.141290
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C26H30N4O4

SMILES: O=C(NCCCN(CCO)CCOc1ccccc1)c1ccc(NC(=O)c2cccnc2)cc1

BIRTHDAY: 2018-11-19T08:18:32.151407
ATC: A05B
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:C33H59N3O

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=N)N)cc1

BIRTHDAY: 2018-11-19T08:18:32.160006
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C31H55N3O

SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cccc(C(=N)N)c1

BIRTHDAY: 2018-11-19T08:18:32.179298
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C19H27N7O2

SMILES: CC(C)(C)c1c(C(=O)N[C@@H]2CCCCN2)n[nH]c1NC(=O)Nc1ccncc1

BIRTHDAY: 2018-11-19T08:18:32.188887
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C24H27N5O2

SMILES: CC(C)(C)Cc1ccccc1-c1cocc1/C=N\NC(=O)Nc1ccccc1C(=N)N

BIRTHDAY: 2018-11-19T08:18:32.198400
ATC: S01H
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- LOCAL ANESTHETICS
Synthesis Plan
FORMULA:C38H47N5O5

SMILES: O=C(NC[C@H]1C[C@H]2CC[C@@H]1O2)c1ccc(NC(=O)c2ccc(CCNCCNc3ncc4cc3C=CCCCOCCCO4)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:32.211919
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H29N3O

SMILES: CC(C)Cc1ccc(-c2ccc(CNCCC(=O)Nc3cccc(C#N)c3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:32.230197
ATC: G03G
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- GONADOTROPINS AND OTHER OVULATION STIMULANTS
Synthesis Plan
FORMULA:C31H43N9O3

SMILES: NC(=O)c1cccc(Nc2ccc(-c3cn(CC(=O)N4CC[C@]5(CCNCCNCCCNCCN5)C4)c(=O)[nH]3)cc2)c1

BIRTHDAY: 2018-11-30T17:23:30.027091
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C47H44N6O4

SMILES: O=C(c1ccnc(NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)n1)N1CCCNCCNCc2cccc3ccc(cc23)Oc2cccc(c2)C1

BIRTHDAY: 2018-11-30T17:23:30.042521
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H25N5O2

SMILES: COc1cccc(CNCc2ccc(C(=O)Nc3cnn(CCN)c3)cc2)c1

BIRTHDAY: 2018-11-30T17:23:30.051537
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H20N4O3

SMILES: COc1ccc(C(=O)Nc2ccc(CNC(=O)c3cnc4ccccn34)cc2)cc1

BIRTHDAY: 2018-11-30T17:23:30.060695
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C25H27N5O2

SMILES: CC(C)(N)Nc1ccncc1-c1c(C(N)=O)cccc1-c1ccccc1C(=O)NC1CC1

BIRTHDAY: 2018-11-30T17:23:30.072099
ATC: H03A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- THYROID THERAPY
- THYROID PREPARATIONS
Synthesis Plan
FORMULA:C38H67NO5

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cc(OC)c(OC(C)=O)c(OC)c1

BIRTHDAY: 2018-11-30T17:23:30.082110
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C28H27N5O2

SMILES: COc1ccccc1CNCc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2NCC3)cc1

BIRTHDAY: 2018-11-30T17:23:30.092130
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H18N4O

SMILES: CCC[C@@H]1[C@@H]2O[C@]3(c4[nH]ccc42)[C@@H]1N=NN3c1ccccc1

BIRTHDAY: 2018-11-30T17:23:30.110617
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C21H25N5O2

SMILES: COc1cccc(CNCc2cccc(C(=O)Nc3ccnn3[C@H](C)N)c2)c1

BIRTHDAY: 2018-11-30T17:23:30.119605
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C31H35N9O4

SMILES: CC(C)CC(=O)Nc1[nH]nc2c1N(C(=O)[C@]1(N)NCC=CCOCc3ccc(o3)-c3ccnc(n3)Nc3cccc1c3)CC2

BIRTHDAY: 2018-11-30T17:23:30.153057
ATC: P01A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Synthesis Plan
FORMULA:C31H63NO2

SMILES: C[C@@H](O)NC(=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-30T17:23:30.170187
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C20H17N7O3

SMILES: COc1ccc(-c2cc(-c3ccc(C(=O)N4CN=NC(C(N)=O)=N4)cc3)[nH]n2)cc1

BIRTHDAY: 2018-11-30T17:23:30.180205
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C20H20N6OS

SMILES: N#Cc1ccc(-c2nc(C(=O)Nc3c[nH]nc3CCN3CCCC3)cs2)cc1

BIRTHDAY: 2018-11-30T17:23:30.189485
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C26H30N4O2

SMILES: CN(C)C(C)(C)NC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccccc1CN

BIRTHDAY: 2018-11-30T17:23:30.198566
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C21H22N4O2

SMILES: COc1ccc(CNCc2ccc(C(=O)Nc3cc(N)ccn3)cc2)cc1

BIRTHDAY: 2018-12-02T16:06:38.064051
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C32H49N3O4

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C[C@]12C(=O)NC(=O)N[C@H]1C=C(c1ccccc1O)C=C2O

BIRTHDAY: 2018-12-02T16:06:38.075380
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C22H21N9O3

SMILES: Nc1cnccc1NC(=O)c1nnnn1-c1ccccc1-c1ccccc1C(N)(N)CC(=O)O

BIRTHDAY: 2018-12-02T16:06:38.087822
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C20H21N5O2

SMILES: COc1ccccc1C(N)(N)c1ccccc1C(=O)Nc1ccncc1N

BIRTHDAY: 2018-12-02T16:06:38.097025
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C24H24N6O3

SMILES: COc1ccc(C(=O)Nc2cc(C(=O)N[C@H]3CCCNC3)nn2-c2ccc(C#N)cc2)cc1

BIRTHDAY: 2018-12-02T16:06:38.108250
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C24H22N6O2

SMILES: COc1ccccc1C(N)(N)c1ccccc1C(=O)Nc1cncnc1-c1ccccn1

BIRTHDAY: 2018-12-02T16:06:38.118661
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H24F3N5O

SMILES: CC(C)(C)c1nn(-c2ccc(CN)cc2)cc1NC(=O)Nc1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-12-02T16:06:38.128563
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis Plan
FORMULA:C22H22F3N5O

SMILES: CN(C)CCNC(=O)c1ccc2c(c1)Cc1ccncc1-c1cnn(CC(F)(F)F)c1-2

BIRTHDAY: 2018-12-02T16:06:38.138737
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C24H19F3N6O

SMILES: NC(=O)c1ccc(-c2ccc(CNc3ncc(C(F)(F)F)c(-c4ccc(N)nc4)n3)cc2)cc1

BIRTHDAY: 2018-12-02T16:06:38.149794
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C32H57N3O

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=N)N)cc1

BIRTHDAY: 2018-12-02T16:06:38.158113
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C24H28O7

SMILES: COc1cccc([C@]23C=CCCCCC=CC(=O)C(O)(O)OC[C@@H]2C=C(O)C(O)=C3)c1

BIRTHDAY: 2018-12-02T16:06:38.167958
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:C41H49FN6O4

SMILES: NC(=O)c1cc(Nc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)cc(Nc2cccc([C@@]3(F)CCCCCCCCCNCCNCC3)c2)c1

BIRTHDAY: 2018-12-02T16:06:38.198903
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C32H29N9O4

SMILES: O=C1NCC(=O)n2cc(cn2)C2=NN(Cc3cccc(c3)CN1)[C@H](CNC(=O)c1ccc(NC(=O)c3cccnc3)cc1)C=C2

BIRTHDAY: 2018-12-02T16:06:38.212858
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H18F3N3O2

SMILES: COc1ccc(-c2[nH]ncc2-c2ccccc2C(=O)Nc2ccccc2C(F)(F)F)cc1

BIRTHDAY: 2018-12-02T16:06:38.243335
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C32H35N3O4

SMILES: COc1cccc(CNC(=O)c2ccccc2CNC(=O)C2(C(=O)Nc3ccc(C)cc3C)[C@H]3CC[C@H]2C3)c1

BIRTHDAY: 2018-12-02T16:06:38.254470
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H18N4O5

SMILES: COc1ccc(-c2cc(-c3cc(-c4noc(=O)[nH]4)c(OC)cc3OC)[nH]n2)cc1

BIRTHDAY: 2018-12-03T10:42:59.949417
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C22H44N6O4

SMILES: CC(C)[C@@H](N)C(=O)N[C@@H](CCC(=O)NCCCCCCCCCCCNC(=N)N)C(=O)O

BIRTHDAY: 2018-12-03T10:42:59.959238
ATC: H03A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- THYROID THERAPY
- THYROID PREPARATIONS
Synthesis Plan
FORMULA:C20H16N6O3

SMILES: NC(=O)c1ccccc1-c1ccc2[nH]c(-c3cc(N)c[nH]c3=O)nc2c1C(N)=O

BIRTHDAY: 2018-12-03T10:42:59.969367
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C24H19F3N6O

SMILES: NC(=O)c1cccc(-c2ccc(CNc3cc(C(F)(F)F)nc(-c4cc(N)ccn4)n3)cc2)c1

BIRTHDAY: 2018-12-03T10:43:00.000461
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C32H30N4O

SMILES: NC(=O)c1cccc(-c2ccc(CNCc3cc4ccccc4nc3CNCc3ccccc3)cc2)c1

BIRTHDAY: 2018-12-03T10:43:00.010411
ATC: D03A
- DERMATOLOGICALS
- PREPARATIONS FOR TREATMENT OF WOUNDS AND ULCERS
- CICATRIZANTS
Synthesis Plan
FORMULA:C33H60N6O4S

SMILES: CCCCCCCCCCCCCCCCCC[C@@H]1SCCNCC(=O)NCc2nccn2C[C@H](C(=O)NCCO)NC1=O

BIRTHDAY: 2018-12-03T10:43:00.022748
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C23H21N3O

SMILES: CC(C)Cc1cccc(-c2ccccc2C(=O)Nc2ccnc(C#N)c2)c1

BIRTHDAY: 2018-12-03T10:43:00.031456
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C24H19N7O

SMILES: N#Cc1ccc(NC(=O)Nc2ccc(-c3nnc4n3CCNc3ccccc3-4)cc2)cc1

BIRTHDAY: 2018-12-03T10:43:00.051131
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C30H32N8O

SMILES: CC(C)n1cnc2c(NCc3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)nc(NCc3ccccn3)nc21

BIRTHDAY: 2018-12-03T10:43:00.080803
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C25H26N6O3

SMILES: CN(C)CCCNC(=O)c1ccc(Oc2cccc(C#N)c2)c(NC(=O)Nc2ccncc2)c1

BIRTHDAY: 2018-12-03T10:43:00.091318
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C22H23N7O3S2

SMILES: CC1(C)NS[C@]23C=CC(C(=O)NCC(=O)O)=C[C@@]2(S1)C(c1ccn[nH]1)=CC=C3c1n[nH]cc1N

BIRTHDAY: 2018-12-03T10:43:00.103503
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C23H20N6O3

SMILES: NC(=O)c1c(-c2ccccc2C(=O)NC2CC2)ccc2[nH]c(-c3cc(N)c[nH]c3=O)nc12

BIRTHDAY: 2018-12-03T10:43:00.114162
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C26H28ClF3N6O3

SMILES: O=C(Nc1cccc(C(=O)NCCCN2CCOCC2)c1)Nc1ccc(-c2cnn(CC(F)(F)F)c2)c(Cl)c1

BIRTHDAY: 2018-12-03T10:43:00.126670
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C20H16N4O2S

SMILES: O=C(Nc1cc(C2CC2)n[nH]1)c1ccc(Oc2nccc3sccc23)cc1

BIRTHDAY: 2018-12-03T19:11:24.890590
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C26H31F3N4O3

SMILES: CC(C)CC(=O)N[C@]1(N)CC=CCC(=O)C[C@@]2(C(=O)Nc3ccccc3C(F)(F)F)C=CC=C[C@H]2N1

BIRTHDAY: 2018-12-03T19:11:24.913487
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C28H29N5O3

SMILES: COc1ccc(-c2n[nH]cc2-c2ccc(C(=O)Nc3cccc(C(=O)NCCN(C)C)c3)cc2)cc1

BIRTHDAY: 2018-12-03T19:11:24.923968
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C26H28N2O3

SMILES: NC(=O)c1ccccc1N1CCC[C@H]2C=CC=C[C@H]2COCCC(=O)c2ccc1cc2

BIRTHDAY: 2018-12-03T19:11:24.933677
ATC: C03D
- CARDIOVASCULAR SYSTEM
- DIURETICS
- POTASSIUM-SPARING AGENTS
Synthesis Plan
FORMULA:C23H28N4O2

SMILES: C[C@H](O)N1N=C[C@@H]2c3cccc(C(=O)N[C@@H](C)N(C)C)c3CC=C3C=CC=C[C@@]321

BIRTHDAY: 2018-12-03T19:11:24.943020
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C29H28F3N7O

SMILES: Nc1cccnc1-c1ncnc(C(F)(F)F)c1NCc1ccc(-c2ccccc2C(=O)N[C@H]2CCCCN2)cc1

BIRTHDAY: 2018-12-03T19:11:24.955487
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C26H29N3O2

SMILES: CC(C)(C)c1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)nc3)cc2)cc1

BIRTHDAY: 2018-12-03T19:11:24.983278
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C30H53N3O

SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=N)N)cc1

BIRTHDAY: 2018-12-03T19:11:25.012812
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C24H25N3O4

SMILES: COc1ccc(CNC(=O)c2ccc(CNCc3ccc(C(=O)NO)cc3)cc2)cc1

BIRTHDAY: 2018-12-03T19:11:25.022201
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C21H16Cl2N4O

SMILES: CN(C)c1c[nH]c2c(c1=O)C=C1C=CC=CN1[C@@]2(C#N)c1cc(Cl)ccc1Cl

BIRTHDAY: 2018-12-03T19:11:25.031929
ATC: N06D
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTI-DEMENTIA DRUGS
Synthesis Plan
FORMULA:C31H36N3O6P

SMILES: C[C@]1(Cc2ccc(C(=O)Nc3ccc(C(=O)NC[C@H]4C[C@H]5CC[C@@H]4O5)cc3)cc2)OPOC(=O)C[C@]12CC=CNC2

BIRTHDAY: 2018-12-03T19:11:25.044909
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C33H59N3O

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1ccccc1C(=N)N

BIRTHDAY: 2018-12-03T19:11:25.054028
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H18N4O3

SMILES: COc1ccc(C(=O)Nc2c(C3CC3)nn3c(C(N)=O)cccc23)cc1

BIRTHDAY: 2018-12-03T19:11:25.063427
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H21N5O3

SMILES: NC(=O)c1c(Nc2ccc(C(=O)NCc3ccccc3)cc2)ccc2nc(-c3ccoc3)[nH]c12

BIRTHDAY: 2018-12-03T19:11:25.073778
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C37H61N3O

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)COc1ccccc1-c1ccccc1C(=N)N

BIRTHDAY: 2018-12-01T22:30:30.003144
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C24H23F3N2O3

SMILES: COc1ccc(CNCc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1OC

BIRTHDAY: 2018-12-01T22:30:30.023681
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C27H36N2O

SMILES: NC(=O)c1ccc(-c2ccc(CNCC3=CCCCCCCCCCC3)cc2)cc1

BIRTHDAY: 2018-12-01T22:30:30.041829
ATC: A10X
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- OTHER DRUGS USED IN DIABETES
Synthesis Plan
FORMULA:C35H63NO2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)Nc1ccccc1O

BIRTHDAY: 2018-12-01T22:30:30.050207
ATC: C04A
- CARDIOVASCULAR SYSTEM
- PERIPHERAL VASODILATORS
- PERIPHERAL VASODILATORS
Synthesis Plan
FORMULA:C25H29N5O2

SMILES: NC(=O)c1ccc(-c2ccc(CNc3ccnc(N4CCCCOCCC4)n3)cc2)cc1

BIRTHDAY: 2018-12-01T22:30:30.078186
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C42H64N4O3

SMILES: CCCCCCCCCCCCCC[C@@H]1C[C@@H]2CCN3CC[C@H]1[C@H]([C@H]1Cc4ccc(nc4)OCCCCOc4ccc(N)c(c4)C(=O)N1)[C@@H]23

BIRTHDAY: 2018-12-01T22:30:30.090936
ATC: H01C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- HYPOTHALAMIC HORMONES
Synthesis Plan
FORMULA:C28H22FN3O2

SMILES: COc1ccccc1-c1ccc(CNC(=O)c2c(-c3ccc(F)cc3)nn3ccccc23)cc1

BIRTHDAY: 2018-12-01T22:30:30.100693
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C23H33N3O4

SMILES: COc1ccc(CNCc2cc(OC)c(C(=O)NCCCN(C)C)cc2OC)cc1

BIRTHDAY: 2018-12-01T22:30:30.117646
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C25H27N5O2

SMILES: CC(C)(N)Nc1cccnc1-c1c(C(N)=O)cccc1-c1ccccc1C(=O)NC1CC1

BIRTHDAY: 2018-12-01T22:30:30.144221
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C24H25N5O3

SMILES: COc1ccc(CNCc2cccc(C(=O)Nc3ccc4c(c3)N(C)C(=O)NN4)c2)cc1

BIRTHDAY: 2018-12-01T22:30:30.164319
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H23ClN6O

SMILES: C[C@H](NC(=O)c1cccc2c1N[C@@H]1NN=C[C@]1(c1cccc(Cl)c1)C=N2)N(C)C

BIRTHDAY: 2018-12-01T22:30:30.184053
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan