matter.farm

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

These compounds may interact with:

Adenosine receptor A2a

Potentially involved in: carcinoma; parkinson's disease; huntington's disease; vascular disease; schizophrenia; panic disorder; lesch-nyhan syndrome; anxiety disorders; rheumatoid arthritis; drug allergy; hypotension; sleep initiation and maintenance disorders; liver cirrhosis, experimental; psychoses, substance-induced; seizures; substance withdrawal syndrome; tremor; adverse reaction to drug; amphetamine-related disorders; ventricular dysfunction

Disease data sourced from Pharos.

Inhibitor

FORMULA:C30H34N4O3

SMILES: O=C(NCc1ccccc1)[C@H]1CCN2CC[C@H](C2)N(C(=O)OCc2ccccc2)c2cccc(c2)NC1

BIRTHDAY: 2018-12-01T14:10:28.611440
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C16H15N3O

SMILES: Nc1nccc([C@@H]2C[C@H]3C[C@]2(c2ccccc2)C3=O)n1

BIRTHDAY: 2018-12-01T14:10:28.619433
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C16H18N6O4

SMILES: CNc1nc(-c2ccccn2)c2c(ncn2[C@@]2(CO)CCOC2(O)O)n1

BIRTHDAY: 2018-12-01T14:10:28.630460
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccoc2)c2c(nnn2Cc2cccc(F)c2)n1

BIRTHDAY: 2018-12-01T14:10:28.639596
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H26FN7O3

SMILES: CC(C)n1c(=O)c2nc(-c3cn(C)nc3NC(=O)Cc3ccccc3F)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-01T14:10:28.650785
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CC(C)n1c(=O)c2nc(-c3ccnn3Cc3noc(-c4ccccc4F)n3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-01T14:10:28.662512
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C25H27N5O5

SMILES: COc1ccccc1-c1nc(N[C@H](C)c2ccccc2)nc2ncn([C@]3(CO)CCOC3(O)O)c12

BIRTHDAY: 2018-12-01T14:10:28.675576
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H23N7O3

SMILES: CC(C)n1c(=O)c2nc(-c3n[nH]c4c3NO[C@@H]4c3ccccc3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-01T14:10:28.686137
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CC(C)n1c(=O)c2nc(-c3ccnn3Cc3nc(-c4ccccc4F)no3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-01T14:10:28.697762
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C22H23F3N8O3

SMILES: CC(C)n1c(=O)c2nc(-c3c(NC(=O)c4ccccc4C(F)(F)F)n[nH]c3N)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-01T14:10:28.710244
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C23H24F3N7O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)nn3C)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-01T14:10:28.722205
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C36H39N7O3

SMILES: CC(=O)[C@@]12C=CC=CC1=CCNCc1cccc(c1)Nc1nccc(n1)-c1cc(cc3c1c(=O)n(C(C)C)c(=O)n3C(C)C)CN2

BIRTHDAY: 2018-12-01T14:10:28.735715
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H21N7O

SMILES: O=C(NCc1ccccc1)Nc1nc(-c2ccccc2)nc2c1CCc1ccnn1C=N2

BIRTHDAY: 2018-12-01T14:10:28.745975
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C23H26FN7O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4cccc(F)c4)nn3C)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-01T14:10:28.756913
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3)c2n1

BIRTHDAY: 2018-12-01T14:10:28.765788
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C22H23F3N8O3

SMILES: CC(C)n1c(=O)c2nc(-c3c(N)n[nH]c3NC(=O)c3ccccc3C(F)(F)F)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-01T14:10:28.778215
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C29H28N6O4

SMILES: Nc1nc(-c2ccoc2)nc2c3cc(cc12)CNC(=O)CNCCNCc1cccc2c(CO)cc(cc12)O3

BIRTHDAY: 2018-12-25T02:02:31.163369
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C32H62O3

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)O[C@H]1O

BIRTHDAY: 2018-12-25T02:02:31.171621
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H27N7O2

SMILES: CC(C)n1c(=O)c2c(nc3cc4nc(n32)Nc2cccc(c2)C=Cc2cccc(c2)N4)n(C(C)C)c1=O

BIRTHDAY: 2018-12-25T02:02:31.183436
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C20H16N4OS

SMILES: O=C(NCc1ccccc1)Nc1nc(-c2ccccc2)nc2ccsc12

BIRTHDAY: 2018-12-25T02:02:31.192375
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C21H27N5O5

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)nc2ncn([C@@]3(CO)COCC3(O)O)c12

BIRTHDAY: 2018-12-25T02:02:31.216621
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C12H10N6O2

SMILES: COc1ccc(NC(=O)c2nc(C#N)cnc2N)nc1

BIRTHDAY: 2018-12-25T02:02:31.225009
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccoc2)nc2nnn(Cc3cccc(F)c3)c12

BIRTHDAY: 2018-12-25T02:02:31.233989
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H23F3N8O3

SMILES: CC(C)n1c(=O)c2[nH]c(-c3c(N)n[nH]c3NC(=O)c3ccccc3C(F)(F)F)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-12-25T02:02:31.259285
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C46H57N7O3

SMILES: C[C@]1(C(=O)N[C@]2(c3ncncc3N)CC=CCCCCCCC=CCC2)[C@@H]2CCN1[C@H]1CCc3c(O)cc(cc31)Oc1cc(c3ccccc3c1)CNCCN2

BIRTHDAY: 2018-12-25T02:02:31.275885
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(F)cc5)n4)c3)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-25T02:02:31.300667
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C22H28N6O2

SMILES: Cc1cc(C)n(-c2nc(NC(C)C)c(C(=O)NC[C@H](C)O)c(-c3ccccc3)n2)n1

BIRTHDAY: 2018-12-25T02:02:31.310645
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccco2)nc2c1nnn2Cc1ccc(F)cc1

BIRTHDAY: 2018-12-25T02:02:31.319596
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C17H21N7O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cc(NC4=CCO4)n[nH]3)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-25T02:02:31.329531
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H25FN8O3

SMILES: CC(C)n1c(=O)c2nc(-c3c(NC(=O)Cc4ccccc4F)n[nH]c3N)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-25T02:02:31.341368
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C23H26FN7O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(F)cc4)nn3C)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-25T02:02:31.352541
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C23H25N5O2

SMILES: COc1cccc(-c2nc(N[C@@H](CO)c3ccccc3)c3ncn(C(C)C)c3n2)c1

BIRTHDAY: 2018-12-25T02:02:31.362242
ATC: H01C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- HYPOTHALAMIC HORMONES
Synthesis Plan
FORMULA:C20H18N4O

SMILES: COc1ccccc1-c1nc(N[C@H](C)c2ccccc2)ncc1C#N

BIRTHDAY: 2018-12-03T02:38:35.184722
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C41H40N12O5

SMILES: CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5cccc6c5COCc5ccc(o5)-c5ccnc(n5)Nc5cccc(c5)CNC6)n4)c3)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-03T02:38:35.202490
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C20H28N8O3

SMILES: CCc1nnc(CNc2nc(C#N)nc(OCC3CC3)c2C(=O)NCCCN(C)C)o1

BIRTHDAY: 2018-12-03T02:38:35.246377
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C27H34N6O4

SMILES: COc1ccccc1-c1nc(NC(C)C)c2c(ncn2[C@]23CC[C@@H]4[C@@H]5CCN4[C@]2(C5)[C@](O)(CO)OC3)n1

BIRTHDAY: 2018-12-03T02:38:35.258062
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C15H10F2N6O

SMILES: Nc1nc(-c2ccoc2)nc2nnn(Cc3cc(F)cc(F)c3)c12

BIRTHDAY: 2018-12-03T02:38:35.267223
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H29N7O4

SMILES: COc1ccccc1CC(=O)Nc1nn(C)cc1-c1nc2c([nH]1)c(=O)n(C(C)C)c(=O)n2C(C)C

BIRTHDAY: 2018-12-03T02:38:35.278484
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis Plan
FORMULA:C22H23F3N8O3

SMILES: CCCn1c(=O)c2nc(-c3c(N)n[nH]c3NC(=O)c3ccccc3C(F)(F)F)[nH]c2n(CCC)c1=O

BIRTHDAY: 2018-11-30T03:40:31.588594
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C20H25N5O2S

SMILES: COc1ccc(CNc2nc(C(=O)NCCCN(C)C)nc3ccsc23)cc1

BIRTHDAY: 2018-11-30T03:40:31.597841
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C25H27N5O6

SMILES: COc1ccc(-c2nc(N[C@@H](CO)c3ccccc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1

BIRTHDAY: 2018-11-30T03:40:31.627481
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C23H25N5O2

SMILES: COc1ccccc1-c1nc(N[C@H](CO)c2ccccc2)c2c(ncn2C(C)C)n1

BIRTHDAY: 2018-11-30T03:40:31.657951
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CC(C)n1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccc(F)cc5)n4)c3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-30T03:40:31.693519
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C17H25N5O4

SMILES: CC(C)[C@@]1(n2c(=O)ccn(C(C)(C)[C@H](C)C(=O)[O-])c2=O)CC[NH+]=NC=N1

BIRTHDAY: 2018-11-30T03:40:31.703791
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C22H30N6O2

SMILES: CCCn1c(=O)c2[nH]c(-c3cnn4c3CC[C@H]3CCC[C@@H]4C3)nc2n(CCC)c1=O

BIRTHDAY: 2018-11-30T03:40:31.723148
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H31N5O2

SMILES: CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C[C@H]2CCCN3CCC[C@@H]2C3)c1=O

BIRTHDAY: 2018-11-19T08:17:25.040827
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C20H17N5OS

SMILES: O=C(NCc1ccccc1)c1nc(NCc2ccccn2)nc2sccc12

BIRTHDAY: 2018-11-19T08:17:25.059362
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccoc2)nc2nnn(Cc3ccc(F)cc3)c12

BIRTHDAY: 2018-11-19T08:17:25.068248
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H24F3N7O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)c4ccc(C(F)(F)F)cc4)nn3C)nc2n(CCC)c1=O

BIRTHDAY: 2018-11-19T08:17:25.080330
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C27H35N11O6

SMILES: CC(C)n1c(=O)c2[nH]c(-c3cn[nH]c3NC(=O)[C@@H]3CCOCCNCNc4cncc(n4)OCC3=O)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:17:25.096110
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C10H15N5O

SMILES: Nc1ncc2ncn(CCCCCO)c2n1

BIRTHDAY: 2018-11-19T08:17:25.103336
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H23FN6O5

SMILES: CNC(=O)[C@H]1C[C@@H](O)[C@](O)(n2cnc3c(C#C[C@@H](C)O)nc(NCc4ccc(F)cc4)nc32)O1

BIRTHDAY: 2018-11-19T08:17:25.115211
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C21H27N5O5

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)c2c(ncn2[C@@]2(CO)CCOC2(O)O)n1

BIRTHDAY: 2018-11-19T08:17:25.150854
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C20H25N5O5

SMILES: COc1ccccc1-c1nc(NC(C)C)nc2ncn([C@]3(O)COC[C@]3(O)CO)c12

BIRTHDAY: 2018-11-19T08:17:25.173216
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C17H16F3N3O

SMILES: COc1ccccc1-c1cc(C(F)(F)F)nc(NC23CC(C2)C3)n1

BIRTHDAY: 2018-11-19T08:17:25.182216
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H28N8O2

SMILES: Nc1nc(-c2ccco2)c2nnn(Cc3ccc4c(c3)c3cn4CCCCCCNC(=O)CC3)c2n1

BIRTHDAY: 2018-11-19T08:17:25.202780
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C16H24N4O3

SMILES: CC(C)n1c(=O)c2nc([C@H]3CCCCO3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:17:25.211240
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C20H16N4OS

SMILES: O=C(NCc1ccccc1)Nc1nc(-c2ccccc2)nc2sccc12

BIRTHDAY: 2018-11-19T08:17:25.220084
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C24H22N6O

SMILES: COc1ccccc1-c1ccnn1-c1cnc(Nc2c(C)ccc(C)c2C)nc1C#N

BIRTHDAY: 2018-11-19T08:17:25.241950
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H29N7O4

SMILES: CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4cccc(OC)c4)nn3C)nc2n(CCC)c1=O

BIRTHDAY: 2018-11-19T08:17:25.253139
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C25H27N5O

SMILES: COc1ccc(-c2cn(-c3cc(Nc4c(C)cc(C)cc4C)nc(C)n3)nc2C)cc1

BIRTHDAY: 2018-11-19T08:17:25.262460
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H27N5O5

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)nc2ncn([C@@]3(CO)CCOC3(O)O)c12

BIRTHDAY: 2018-11-19T08:17:25.274544
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C28H36N6O6

SMILES: CNC(=O)[C@@]1(N2C=N[C@@]3(NCc4c(OC)cccc4OC)N=CN=C[C@@]23C#CC2(O)CCCC2)CCCC1(O)O

BIRTHDAY: 2018-11-19T08:17:25.301588
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CC(C)n1c(=O)c2[nH]c(-c3ccnn3Cc3noc(-c4ccccc4F)n3)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:17:25.322413
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H27N5O5

SMILES: COc1ccc(-c2nc(NC(C)(C)C)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1

BIRTHDAY: 2018-11-19T08:17:25.342099
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C25H27N5O6

SMILES: COc1ccc(-c2nc(N[C@@H](CO)c3ccccc3)nc3ncn([C@@]4(CO)CCOC4(O)O)c23)cc1

BIRTHDAY: 2018-11-19T08:17:25.355045
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccco2)c2c(nnn2Cc2ccc(F)cc2)n1

BIRTHDAY: 2018-11-19T08:17:25.364081
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CC(C)n1c(=O)c2[nH]c(-c3ccnn3Cc3nc(-c4ccccc4F)no3)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:17:25.375866
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(F)cc5)no4)c3)nc2n(CCC)c1=O

BIRTHDAY: 2018-11-19T08:17:25.419932
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccco2)nc2c1nnn2Cc1ccccc1F

BIRTHDAY: 2018-11-19T08:17:25.437834
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C21H27N5O5

SMILES: COc1ccc(-c2nc(NC(C)(C)C)c3ncn([C@H]4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1

BIRTHDAY: 2018-11-19T08:17:25.461178
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C23H23ClN8O3

SMILES: CC(C)n1c(=O)c2nc(-c3ccnn3Cc3nc(-c4ccccc4Cl)no3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:17:25.472980
ATC: V09D
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- HEPATIC AND RETICULO ENDOTHELIAL SYSTEM
Synthesis Plan
FORMULA:C23H24F3N7O3

SMILES: CC(C)n1c(=O)c2nc(-c3cnn(C)c3NC(=O)c3ccccc3C(F)(F)F)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:17:25.485176
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C22H30N10O2

SMILES: CC(C)n1c(=O)c2nc(-c3c(N)n[nH]c3N[C@@]3(C#N)[C@@H]4CCC[C@@H]3CN4)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:17:25.497317
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C17H14N4O2

SMILES: O=C(Nc1nc(-c2ccccn2)cc(-c2ccco2)n1)C1CC1

BIRTHDAY: 2018-11-19T08:17:25.505897
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C24H27N9O2

SMILES: CC(C)n1c(=O)c2[nH]c(-c3cn[nH]c3N3CC=N[C@]45C=CC=C[C@@]34C=CN5)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:17:25.517959
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C12H10N8O2

SMILES: Nc1nc(-c2ccoc2)c2c(nnn2C2(CO)N=CC=N2)n1

BIRTHDAY: 2018-11-30T17:22:53.127062
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H23ClN8O3

SMILES: CC(C)n1c(=O)c2[nH]c(-c3ccnn3Cc3noc(-c4ccccc4Cl)n3)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-11-30T17:22:53.138852
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C22H25FN6O2S

SMILES: CC(C)n1c(=O)c2nc(-c3n[nH]c4c3[C@@H]3C(F)=CC=C[C@@H]3CCS4)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-30T17:22:53.150424
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C24H24N8O4

SMILES: COc1cccc(-c2cnn(-c3nc(NC4(C#N)CC4)c4ncn([C@@H]5C[C@@H](O)[C@@H](CO)O5)c4n3)c2)c1

BIRTHDAY: 2018-11-30T17:22:53.172064
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C24H23F3N8O3S

SMILES: CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)c4ccc5c(c4)C=C(C(F)(F)F)SN5)[nH]n3)nc2n(CCC)c1=O

BIRTHDAY: 2018-11-30T17:22:53.197335
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis Plan
FORMULA:C24H29N7O3Si

SMILES: CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)c4ccc5c(c4)C[SiH2]CC5)n[nH]3)nc2n(CCC)c1=O

BIRTHDAY: 2018-11-30T17:22:53.208522
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C17H29N5O2

SMILES: C[C@@H]1CCOCCCCN(C)[C@@H](C#N)[C@H](C(=O)NC#N)[C@@H](C)CN1

BIRTHDAY: 2018-11-30T17:22:53.228876
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C23H25N5O

SMILES: COc1cccc(-c2nc(N[C@@H](C)c3ccccc3)nc3c2ncn3C(C)C)c1

BIRTHDAY: 2018-11-30T17:22:53.238150
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C29H34N6O6

SMILES: CNC(=O)[C@@]12C[C@H]1[C@@H](n1cnc3c(NCc4cc(OC)cc(OC)c4)nc(C#CC4(O)CCCC4)nc31)[C@H](O)[C@@H]2O

BIRTHDAY: 2018-11-30T17:22:53.250871
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C20H18N4O2

SMILES: COc1ccc(-c2ncc(N[C@H](CO)c3ccccc3)c(C#N)n2)cc1

BIRTHDAY: 2018-11-30T17:22:53.268067
ATC: V09X
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- OTHER DIAGNOSTIC RADIOPHARMACEUTICALS
Synthesis Plan
FORMULA:C24H22N6O

SMILES: COc1cccc(-c2cnn(-c3nc(Nc4cc(C)c(C)c(C)c4)ncc3C#N)c2)c1

BIRTHDAY: 2018-11-30T17:22:53.278100
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C23H28N8O4

SMILES: COc1ccccc1CC(=O)Nc1n[nH]c(N)c1-c1nc2c(=O)n(C(C)C)c(=O)n(C(C)C)c2[nH]1

BIRTHDAY: 2018-11-30T17:22:53.307788
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C15H15FN6O2

SMILES: NC1=Nc2nc(N)ncc2[C@H](C(=O)NCc2ccc(F)cc2)OC1

BIRTHDAY: 2018-12-02T16:06:01.513930
ATC: G04C
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- DRUGS USED IN BENIGN PROSTATIC HYPERTROPHY
Synthesis Plan
FORMULA:C25H27N5O5

SMILES: COc1ccccc1-c1nc(N[C@@H](C)c2ccccc2)nc2ncn([C@]3(CO)COCC3(O)O)c12

BIRTHDAY: 2018-12-02T16:06:01.602935
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H25N5O

SMILES: COc1ccccc1-c1nc(N[C@H](C)c2ccccc2)c2c(ncn2C(C)C)n1

BIRTHDAY: 2018-12-02T16:06:01.612497
ATC: A02A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- ANTACIDS
Synthesis Plan
FORMULA:C31H30N4O6

SMILES: CC1=CC(=O)O[C@@]1(c1ccccc1C(=O)Nc1cccc(C(=O)O)c1)N1C=N[C@@H]2C=CC=C[C@]21C(=O)NC(C)(C)C

BIRTHDAY: 2018-12-02T16:06:01.625981
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H23ClN8O3

SMILES: CC(C)n1c(=O)c2nc(-c3ccnn3Cc3noc(-c4ccccc4Cl)n3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-02T16:06:01.637740
ATC: V09D
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- HEPATIC AND RETICULO ENDOTHELIAL SYSTEM
Synthesis Plan
FORMULA:C15H10F2N6O

SMILES: Nc1nc(-c2ccoc2)c2c(nnn2Cc2cc(F)cc(F)c2)n1

BIRTHDAY: 2018-12-02T16:06:01.647319
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H23F3N8O3

SMILES: CC(C)n1c(=O)c2[nH]c(-c3n[nH]c(N)c3NC(=O)c3cccc(C(F)(F)F)c3)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-12-02T16:06:01.659628
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H14N4O2

SMILES: O=C(Nc1c(-c2ccncc2)ncnc1-c1ccoc1)C1CC1

BIRTHDAY: 2018-12-02T16:06:01.678545
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H19N5O4

SMILES: CNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O

BIRTHDAY: 2018-12-02T16:06:01.688708
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C17H14N4O2

SMILES: O=C(Nc1ncnc(-c2ccoc2)c1-c1ccccn1)C1CC1

BIRTHDAY: 2018-12-03T10:42:23.301007
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H23N5O

SMILES: COc1ccccc1-c1cnn(-c2ccnc(Nc3c(C)cc(C)cc3C)n2)c1

BIRTHDAY: 2018-12-03T10:42:23.321846
ATC: A02A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- ANTACIDS
Synthesis Plan
FORMULA:C25H27N7O5S

SMILES: CC(C)n1c(=O)c2[nH]c(-c3nn4c(c3N[C@@]35C=CC=CC3=COC5)[C@H](C(=O)O)CS4)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-12-03T10:42:23.392715
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C26H36N10O2

SMILES: COc1ccc2c(c1)CCNCCn1ccnc1-c1nn(CC(N)=O)cc1CN[C@@H]1CN[C@@H](CNC=N2)C1

BIRTHDAY: 2018-12-03T10:42:23.405022
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C19H23N5O2S

SMILES: COc1ccc(Nc2nc(C(=O)NCCCN(C)C)c3sccc3n2)cc1

BIRTHDAY: 2018-12-03T10:42:23.435034
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H23N5O3

SMILES: COc1cccc(-c2cc(C)nn2-c2cncnc2Nc2ccc(C(=O)O)c(C)c2C)c1

BIRTHDAY: 2018-12-03T10:42:23.445058
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H21N3O

SMILES: C1=CC[C@@H]([C@]23CCNC(OCc4ccccc4)=C2N=CN3)C=C1

BIRTHDAY: 2018-12-03T19:10:48.928184
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C34H66O3

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)O[C@@H]1O

BIRTHDAY: 2018-12-03T19:10:48.936423
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H29N7O4

SMILES: COc1ccc(CC(=O)Nc2c(-c3nc4c(=O)n(C(C)C)c(=O)n(C(C)C)c4[nH]3)cnn2C)cc1

BIRTHDAY: 2018-12-03T19:10:48.947756
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C20H25N5O5

SMILES: COc1ccccc1-c1nc(NC(C)C)nc2ncn([C@]3(CO)COCC3(O)O)c12

BIRTHDAY: 2018-12-03T19:10:49.031937
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H26N6O2

SMILES: COc1ccc(-c2nn(-c3cc(Nc4ccc(C(=O)NC(C)C)cc4)ncn3)cc2C)cc1

BIRTHDAY: 2018-12-03T19:10:49.042188
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccccc5F)no4)c3)[nH]c2n(CCC)c1=O

BIRTHDAY: 2018-12-03T19:10:49.062940
ATC: G03G
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- GONADOTROPINS AND OTHER OVULATION STIMULANTS
Synthesis Plan
FORMULA:C15H10F2N6O

SMILES: Nc1nc(-c2ccco2)nc2c1nnn2Cc1ccc(F)c(F)c1

BIRTHDAY: 2018-12-03T19:10:49.072243
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C19H26N4O2S

SMILES: CC(C)n1c2c(c(=O)n([C@]3(C)C4CCCN3CCC4)c1=O)N=CC=CS2

BIRTHDAY: 2018-12-01T22:29:53.425876
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C23H19N3O3

SMILES: O=C(NCc1ccccc1)c1cn(Cc2ccccc2)c2c(=O)[nH]ccc2c1=O

BIRTHDAY: 2018-12-01T22:29:53.533906
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C20H18N4O2

SMILES: COc1cccc(-c2c(C#N)ncnc2N[C@H](CO)c2ccccc2)c1

BIRTHDAY: 2018-12-01T22:29:53.575996
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C20H19N5O2

SMILES: CNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@H]1[C@H](O)[C@@H](O)[C@H]2C[C@@H]21

BIRTHDAY: 2018-12-01T22:29:53.589452
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C29H29N3O3

SMILES: COc1ccccc1-c1nc(N[C@@H](C)c2ccccc2)nc2c1[C@@H]1OC3=C(C=CCCC3)[C@@H](C2)O1

BIRTHDAY: 2018-12-01T22:29:53.604449
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H25N5O2

SMILES: COc1ccccc1-c1nc(N[C@@H](CO)c2ccccc2)nc2ncn(C(C)C)c12

BIRTHDAY: 2018-12-01T22:29:53.652665
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C24H23N5O3

SMILES: COc1cccc(-c2c(C)cnn2-c2cncnc2Nc2ccc(C(=O)O)c(C)c2C)c1

BIRTHDAY: 2018-12-01T22:29:53.680201
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan