matter.farm

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

These compounds may interact with:

Adenosine receptor A3

Potentially involved in: carcinoma; vascular disease; reflex epilepsy; glaucoma; ischemia; liver cirrhosis, experimental; myocardial infarction; adrenocortical carcinoma; adult high grade glioma; alzheimer's disease; astrocytoma, pilocytic; cutaneous lupus erythematosus; glioblastoma; invasive ductal carcinoma; peptic ulcer; alcohol withdrawal delirium; sneezing; disorder of lung; asthma; copd associated with chronic bronchitis

Disease data sourced from Pharos.

Inhibitor

FORMULA:C22H23FN6O5

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

BIRTHDAY: 2018-12-01T14:11:18.885616
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H24F3N5O4

SMILES: CCCn1c(=O)n(CC2=CCOCN2C(=O)c2c(C)cccc2C)c(=O)c2nc(C(F)(F)F)[nH]c21

BIRTHDAY: 2018-12-01T14:11:18.897211
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C18H20ClFN6O3S

SMILES: CNC(=O)[C@@]1(N2C=N[C@@]3(Cl)N=CN=C[C@]23NCc2ccc(F)cc2)CSC(O)(O)C1

BIRTHDAY: 2018-12-01T14:11:18.909695
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
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: 2018-12-01T14:11:18.922175
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C26H22N6O

SMILES: O=C(NCc1ccccc1)Nc1nc(-c2ccccc2)nc2ncn(Cc3ccccc3)c12

BIRTHDAY: 2018-12-01T14:11:18.932457
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C21H27N5O5

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

BIRTHDAY: 2018-12-01T14:11:18.956891
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C19H23N5O2S

SMILES: COc1ccccc1Nc1nc(C(=O)NC(C)(C)N(C)C)nc2ccsc12

BIRTHDAY: 2018-12-01T14:11:18.966132
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccco2)nc2c1nnn2Cc1cccc(F)c1

BIRTHDAY: 2018-12-01T14:11:18.975024
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C18H18ClFN6O4

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

BIRTHDAY: 2018-12-01T14:11:18.985937
ATC: A02A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- ANTACIDS
Synthesis Plan
FORMULA:C19H19N5O4

SMILES: CNc1nc(C#Cc2ccccc2)c2c(ncn2[C@@]2(CO)CCOC2(O)O)n1

BIRTHDAY: 2018-12-01T14:11:18.996371
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H20N4O2S

SMILES: COc1ccccc1Nc1nc(C(=O)N[C@H](C)c2ccccc2)c2ccsc2n1

BIRTHDAY: 2018-12-01T14:11:19.005908
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C18H20ClFN6O4

SMILES: CNC(=O)[C@]1(O)COC[C@@]1(O)N1C=N[C@]2(NCc3ccccc3F)N=CN=C[C@]12Cl

BIRTHDAY: 2018-12-01T14:11:19.017981
ATC: C10B
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, COMBINATIONS
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: 2018-12-01T14:11:19.030360
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C15H11FN6O

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

BIRTHDAY: 2018-12-01T14:11:19.039183
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: 2018-12-25T02:03:22.532228
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C21H27N5O5

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

BIRTHDAY: 2018-12-25T02:03:22.544351
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: 2018-12-25T02:03:22.556561
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C21H27NO

SMILES: CCCN1CCCc2cc(O)ccc2CCc2ccccc2C1

BIRTHDAY: 2018-12-25T02:03:22.563535
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C20H18F3N3O2

SMILES: COc1ccc(-c2nc(C(F)(F)F)ncc2N[C@@H](CO)c2ccccc2)cc1

BIRTHDAY: 2018-12-25T02:03:22.598015
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H23Cl2F2N7O3

SMILES: O=C(CC[C@@H](CC(F)(F)Cl)n1cnc2c(NCc3ccc(Cl)cc3)nc(NC(=O)c3ccccc3)nc21)NO

BIRTHDAY: 2018-12-25T02:03:22.611255
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C15H11FN6O

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

BIRTHDAY: 2018-12-25T02:03:22.668664
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C23H24F3N7O3

SMILES: CCCn1c(=O)c2nc(-c3c(NC(=O)c4ccc(C(F)(F)F)cc4)cnn3C)[nH]c2n(CCC)c1=O

BIRTHDAY: 2018-12-25T02:03:22.693513
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:C22H25FN6O5

SMILES: CNC(=O)[C@]1(O)COC[C@@]1(O)N1C=N[C@@]2(NCc3ccccc3F)N=CN=C[C@]12C#C[C@H](C)O

BIRTHDAY: 2018-12-25T02:03:22.706124
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H19N5O4

SMILES: CNc1nc(C#Cc2ccccc2)c2c(ncn2[C@]2(CO)CCOC2(O)O)n1

BIRTHDAY: 2018-12-25T02:03:22.716723
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H21N3

SMILES: c1ccc(-c2ncnc(-c3ccccc3)c2NC2CCCC2)cc1

BIRTHDAY: 2018-12-03T02:39:26.600988
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C15H11FN6O

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

BIRTHDAY: 2018-12-03T02:39:26.609839
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C20H25N5O7

SMILES: COc1ccccc1-c1nc(NC(CO)CO)c2c(ncn2[C@@]2(CO)COCC2(O)O)n1

BIRTHDAY: 2018-12-03T02:39:26.621869
ATC: P01A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Synthesis Plan
FORMULA:C22H23F3N8O3

SMILES: CCCn1c(=O)c2[nH]c(-c3c(N)n[nH]c3NC(=O)c3ccccc3C(F)(F)F)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-03T02:39:26.634327
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C23H24F3N7O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cnn(C)c3NC(=O)c3ccc(C(F)(F)F)cc3)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-03T02:39:26.646434
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H27N5O5

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)c2c(ncn2[C@@]2(CO)COCC2(O)O)n1

BIRTHDAY: 2018-12-03T02:39:26.681631
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C18H20ClFN6O4

SMILES: CNC(=O)[C@]1(O)COC[C@]1(O)N1C=N[C@@]2(NCc3ccccc3F)N=CN=C[C@]12Cl

BIRTHDAY: 2018-12-03T02:39:26.693619
ATC: C10B
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, COMBINATIONS
Synthesis Plan
FORMULA:C20H18F3N3O2

SMILES: COc1ccc(-c2nc(N[C@@H](CO)c3ccccc3)ncc2C(F)(F)F)cc1

BIRTHDAY: 2018-12-03T02:39:26.703103
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C24H20N4O

SMILES: O=C(NCc1ccccc1)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1

BIRTHDAY: 2018-12-03T02:39:26.711941
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C22H31N7O2

SMILES: COc1ccc(CNc2nc(C(=O)NCCCN(C)C)nc3c2ncn3C(C)C)cc1

BIRTHDAY: 2018-12-03T02:39:26.757381
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C27H38N4O4

SMILES: CC(C)n1c(=O)c2[nH]c([C@]34C=CC=C[C@@H]3OCC(=O)CCCCCCCC4)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-12-03T02:39:26.791878
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C20H17N5OS

SMILES: O=C(NCc1ccccc1)c1nc(NCc2ccncc2)nc2ccsc12

BIRTHDAY: 2018-11-30T03:41:23.440095
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis plan pending
FORMULA:C26H22N6O

SMILES: O=C(NCc1ccccc1)Nc1nc(-c2ccccc2)nc2c1ncn2Cc1ccccc1

BIRTHDAY: 2018-11-30T03:41:23.450134
ATC: B02A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- ANTIFIBRINOLYTICS
Synthesis plan pending
FORMULA:C21H27N5O5

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

BIRTHDAY: 2018-11-30T03:41:23.461420
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C25H29FN6O5

SMILES: CNC(=O)[C@@]1(N2C=N[C@@]3(NCc4ccccc4F)N=CN=C[C@]23C#CC2(O)CCCC2)COCC1(O)O

BIRTHDAY: 2018-11-30T03:41:23.498049
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C20H26N6O4

SMILES: CNC(=O)[C@@]1(N2C=N[C@]3(NCc4cccc(C)c4C)N=CN=C[C@@H]23)COCC1(O)O

BIRTHDAY: 2018-11-30T03:41:23.508608
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:C26H23N5O

SMILES: O=C(NCCc1ccccc1)C1=N[C@H](c2ccccc2)C(c2ccccc2)=C2NN=CN12

BIRTHDAY: 2018-11-30T03:41:23.518220
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis plan pending
FORMULA:C15H11FN6O

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

BIRTHDAY: 2018-11-30T03:41:23.527240
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C19H19N5O4

SMILES: CNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@]1(CO)COCC1(O)O

BIRTHDAY: 2018-11-30T03:41:23.549389
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
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: 2018-11-30T03:41:23.559905
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis plan pending
FORMULA:C21H32N4O3

SMILES: CN[C@@H]1COCCCCOc2cccc(c2)C(=O)N[C@@H]2C(C(C)(C)C)=NN[C@@H]12

BIRTHDAY: 2018-11-30T03:41:23.592628
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis plan pending
FORMULA:C20H18F3N3O2

SMILES: COc1cccc(-c2cc(C(F)(F)F)nc(N[C@@H](CO)c3ccccc3)n2)c1

BIRTHDAY: 2018-11-30T03:41:23.601730
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C25H27FN6O5

SMILES: CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(F)c4)nc(C#CC4(O)CCCC4)nc32)[C@@H](O)[C@H]1O

BIRTHDAY: 2018-11-30T03:41:23.613705
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis plan pending
FORMULA:C10H12HgNO

SMILES: C[C@@H]([Hg])C(=O)NCc1ccccc1

BIRTHDAY: 2018-11-30T03:41:23.631952
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:C25H27FN6O5

SMILES: CNC(=O)[C@H]1C[C@@H](O)[C@](O)(n2cnc3c(C#CC4(O)CCCC4)nc(NCc4ccc(F)cc4)nc32)O1

BIRTHDAY: 2018-11-19T08:14:02.592042
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis plan pending
FORMULA:C23H24F3N7O3

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

BIRTHDAY: 2018-11-19T08:14:02.613672
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C21H27N5O5

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

BIRTHDAY: 2018-11-19T08:14:02.626696
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C30H58O3

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@]1(C)CO[C@@H](O)C1=O

BIRTHDAY: 2018-11-19T08:14:02.644996
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis plan pending
FORMULA:C23H40N6O3

SMILES: CC[C@@H]1OCCO[C@H]1CNc1ncc(C(=O)NCCCN(C)C)c(NC2CCCCC2)n1

BIRTHDAY: 2018-11-19T08:14:02.655259
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis plan pending
FORMULA:C32H36ClN5O7S

SMILES: COC(=O)[C@H]1NCC2=NC1=C(NC(=O)C(C)C)O[C@@H](C(=O)Nc1ccccc1Cl)[C@H](C(=O)OC)CCCN1Cc3cccc2c3S1

BIRTHDAY: 2018-11-19T08:14:02.671047
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
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: 2018-11-19T08:14:02.695736
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C27H27N3O4Se

SMILES: O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NC=[Se])OCc1ccccc1

BIRTHDAY: 2018-11-19T08:14:02.706797
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C24H20N4O

SMILES: O=C(NCc1ccccc1)Nc1c(-c2ccccc2)ncnc1-c1ccccc1

BIRTHDAY: 2018-11-19T08:14:02.717587
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis plan pending
FORMULA:C23H23FN8O3

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

BIRTHDAY: 2018-11-19T08:14:02.729647
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis plan pending
FORMULA:C25H30N4O3

SMILES: CC[C@]12C[C@@H]3C[C@H](CO1)[C@]2(n1c(=O)c2nc(-c4ccccc4C)[nH]c2n(C(C)C)c1=O)C3

BIRTHDAY: 2018-11-19T08:14:02.751247
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C19H19N5O4

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

BIRTHDAY: 2018-11-19T08:14:02.761482
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C25H41N9O3

SMILES: COc1cccc2c1CN=CNC[C@@H]1C[C@@H](CN1)NCCCCN[C@H]1[C@@H](C=NN1C[C@@H](N)C(=O)O)NC2

BIRTHDAY: 2018-11-19T08:14:02.773799
ATC: J01G
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- AMINOGLYCOSIDE ANTIBACTERIALS
Synthesis plan pending
FORMULA:C21H18N4O3S

SMILES: O=C(NCc1ccco1)C1=C(NC(=O)c2ccc(-c3ccsc3)cc2)C=CNN1

BIRTHDAY: 2018-11-19T08:14:02.794333
ATC: C02D
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis plan pending
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: 2018-11-19T08:14:02.805123
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis plan pending
FORMULA:C23H23ClN8O3

SMILES: CC(C)n1c(=O)c2[nH]c(-c3ccnn3Cc3nc(-c4ccccc4Cl)no3)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:14:02.816854
ATC: V09D
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- HEPATIC AND RETICULO ENDOTHELIAL SYSTEM
Synthesis plan pending
FORMULA:C15H15FN4O6S

SMILES: CC(C)n1c(=O)c(NOS(=O)(=O)O)c2[nH]cc(-c3cccc(F)c3)n2c1=O

BIRTHDAY: 2018-11-19T08:14:02.827394
ATC: N01B
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, LOCAL
Synthesis plan pending
FORMULA:C18H20ClFN6O4

SMILES: CNC(=O)[C@]1(N2C=N[C@@]3(NCc4ccccc4F)N=CN=C[C@@]23Cl)CCOC1(O)O

BIRTHDAY: 2018-11-19T08:14:02.838820
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis plan pending
FORMULA:C23H24F3N7O3

SMILES: CC(C)n1c(=O)c2[nH]c(-c3cnn(C)c3NC(=O)c3ccccc3C(F)(F)F)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:14:02.850988
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis plan pending
FORMULA:C27H28FN9O3

SMILES: N[C@@]1(NC(=O)c2cccc(F)c2)CNCNc2cncc(n2)OCc2cnc(Nc3ccccc3)nc2CCO1

BIRTHDAY: 2018-11-19T08:14:02.876659
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C30H37FN6O10

SMILES: CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(F)cc4)nc(C#C[C@@]4(O)COCCOCCOCCOCCO4)nc32)[C@@H](O)[C@H]1O

BIRTHDAY: 2018-11-19T08:14:02.903428
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis plan pending
FORMULA:C21H32N6O3

SMILES: CC(C)n1c(=O)c2nc([C@]34CN[C@@H](C3)[C@@H]4NC(=O)C(C)(C)C)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:14:02.913802
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis plan pending
FORMULA:C19H28N2O6

SMILES: CCCn1c(=O)[nH]c2c(c1=O)C(=O)C[C@@H](C)CC=CCCOC[C@@H](O)[C@H]2O

BIRTHDAY: 2018-11-19T08:14:02.923234
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis plan pending
FORMULA:C26H22N6O

SMILES: O=C(NCc1ccccc1)Nc1nc(-c2ccccc2)c2c(ncn2Cc2ccccc2)n1

BIRTHDAY: 2018-11-19T08:14:02.933382
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis plan pending
FORMULA:C21H27N5O5

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)c2c(ncn2[C@]2(CO)COCC2(O)O)n1

BIRTHDAY: 2018-11-19T08:14:02.944827
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C18H16N6O2S

SMILES: O=S1(=O)CCC[C@@H]1n1cnc2nc(-c3cn[nH]c3)nc(-c3ccccc3)c21

BIRTHDAY: 2018-11-19T08:14:02.955128
ATC: B05A
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- BLOOD AND RELATED PRODUCTS
Synthesis plan pending
FORMULA:C9H13N5O

SMILES: CC(C)(CO)n1cnc2nc(N)ncc21

BIRTHDAY: 2018-11-19T08:14:02.962676
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis plan pending
FORMULA:C22H23F3N8O3

SMILES: CC(C)n1c(=O)c2nc(-c3c(N)n[nH]c3NC(=O)c3ccc(C(F)(F)F)cc3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:14:02.978658
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis plan pending
FORMULA:C12H17N9

SMILES: CC(C)(C)Cc1nc(N)c2c(n1)nc(N)n2-c1cn[nH]n1

BIRTHDAY: 2018-11-19T08:14:02.987678
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis plan pending
FORMULA:C22H21FN6O3

SMILES: CNC(=O)[C@@]12C[C@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(F)cc4)nc31)[C@H](O)[C@@H]2O

BIRTHDAY: 2018-11-19T08:14:02.998704
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis plan pending
FORMULA:C23H23FN8O3

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

BIRTHDAY: 2018-11-19T08:14:03.010555
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C22H25FN6O5

SMILES: CNC(=O)[C@]1(O)COC[C@@]1(O)N1C=N[C@]2(NCc3ccccc3F)N=CN=C[C@]12C#C[C@@H](C)O

BIRTHDAY: 2018-11-19T08:14:03.023213
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccco2)nc2c1nnn2Cc1ccccc1F

BIRTHDAY: 2018-11-19T08:14:03.032182
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis plan pending
FORMULA:C23H24F3N7O3

SMILES: CC(C)n1c(=O)c2[nH]c(-c3cn(C)nc3NC(=O)c3ccc(C(F)(F)F)cc3)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:14:03.065751
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis plan pending
FORMULA:C12H13F3N6O4

SMILES: Nc1ncc2c(ncn2[C@]2(C(=O)NCC(F)(F)F)CCOC2(O)O)n1

BIRTHDAY: 2018-11-19T08:14:03.076445
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis plan pending
FORMULA:C28H32F3N9O3

SMILES: CC(C)n1c(=O)c2nc(-c3cn[nH]c3N[C@]3(C(F)(F)F)N[C@@H]4CC[C@H]3N(C(=O)c3ccccc3)C4)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:14:03.091368
ATC: S01F
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- MYDRIATICS AND CYCLOPLEGICS
Synthesis plan pending
FORMULA:C17H11N3O

SMILES: Nc1nc(-c2ccccc2)nc2c1-c1ccccc1C2=O

BIRTHDAY: 2018-11-19T08:14:03.109194
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C26H36N10O2

SMILES: CC(C)n1c(=O)c2[nH]c(-c3cn[nH]c3N3CNN[C@]3(N)c3cccc(C(C)(C)C)c3)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-11-30T17:23:45.220735
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C22H28ClN5O4

SMILES: CCCCCc1nc(NCc2ccc(Cl)cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

BIRTHDAY: 2018-11-30T17:23:45.243514
ATC: R02A
- RESPIRATORY SYSTEM
- THROAT PREPARATIONS
- THROAT PREPARATIONS
Synthesis Plan
FORMULA:C20H17N5OS

SMILES: O=C(NCc1ccccc1)c1nc(NCc2ccccn2)c2ccsc2n1

BIRTHDAY: 2018-11-30T17:23:45.264553
ATC: A11C
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
Synthesis Plan
FORMULA:C23H17N3O

SMILES: O=C(Nc1c(-c2ccccc2)ncnc1-c1ccccc1)c1ccccc1

BIRTHDAY: 2018-11-30T17:23:45.319996
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H27FN6O5

SMILES: CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(F)c4)nc(C#CC4(O)CCCC4)nc32)[C@H](O)[C@@H]1O

BIRTHDAY: 2018-11-30T17:23:45.331911
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CC(C)n1c(=O)c2nc(-c3ccnn3Cc3nc(-c4cccc(F)c4)no3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-30T17:23:45.355144
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C38H48N8O4

SMILES: CC(C)n1c(=O)c2nc(-c3cn[nH]c3NC(=O)c3ccccc3[C@H]3COCCCCCCCCNc4ccc(cc4)C3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-30T17:23:45.392441
ATC: C05B
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- ANTIVARICOSE THERAPY
Synthesis Plan
FORMULA:C25H30N4O4

SMILES: CCCn1c2c(c3cncn3c1=O)C(=O)CCCCC(=O)Nc1ccc(cc1)CCCOC2

BIRTHDAY: 2018-12-02T16:06:52.921910
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C20H18F3N3O2

SMILES: COc1cccc(-c2cc(C(F)(F)F)nc(N[C@H](CO)c3ccccc3)n2)c1

BIRTHDAY: 2018-12-02T16:06:52.940128
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H18F2N6O4

SMILES: CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(F)ccc4F)ncnc32)[C@H](O)[C@H]1O

BIRTHDAY: 2018-12-02T16:06:52.951013
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C22H23F3N8O3

SMILES: CC(C)n1c(=O)c2nc(-c3c(N)n[nH]c3NC(=O)c3cccc(C(F)(F)F)c3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-02T16:06:52.975314
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C22H32ClN3O4

SMILES: CC[C@H]1CN[C@H](c2ccc(Cl)cc2)[C@@H](CO)NC2(C[C@H]1O)C(CO)=CNC=C2CO

BIRTHDAY: 2018-12-02T16:06:53.021042
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C19H23N5O2S

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

BIRTHDAY: 2018-12-02T16:06:53.079550
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H26N8O2S

SMILES: CCCn1c(=O)c2[nH]c(-c3cc(N4N=C(C)S[C@H]4C)nn3C)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-02T16:06:53.099487
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C22H23FN6O5

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

BIRTHDAY: 2018-12-02T16:06:53.111059
ATC: C02C
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:C21H26N4O2S

SMILES: CC(C)n1c(=O)c2[nH]c([C@@]34C=CC=CC3=CCCSC4)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-12-02T16:06:53.120506
ATC: S01X
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OTHER OPHTHALMOLOGICALS
Synthesis Plan
FORMULA:C27H39N7O8S

SMILES: COC(=O)[C@@H]1C[C@H](C(=O)OC)N[C@H](C(=O)ON)CN(CCCNC(=O)C(C)C)C[C@H]2CSC(=N2)c2cccc(n2)C(=O)N1

BIRTHDAY: 2018-12-03T10:43:15.183050
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C30H58O3

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

BIRTHDAY: 2018-12-03T10:43:15.200453
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H29FN6O5

SMILES: CNC(=O)[C@]1(N2C=N[C@@]3(NCc4ccccc4F)N=CN=C[C@@]23C#CC2(O)CCCC2)COC(O)(O)C1

BIRTHDAY: 2018-12-03T10:43:15.223036
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H34N8O3S2

SMILES: CC(C)n1c(=O)c2nc(-c3c(N)n[nH]c3NC(=O)c3ccccc3C3CSCCCSC3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-03T10:43:15.247503
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C22H23FN6O5

SMILES: CNC(=O)[C@H]1O[C@H](n2cnc3c(NCc4cccc(F)c4)nc(C#C[C@@H](C)O)nc32)[C@@H](O)[C@H]1O

BIRTHDAY: 2018-12-03T10:43:15.259006
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
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: 2018-12-03T10:43:15.269629
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C21H22Cl2N6O4

SMILES: CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(Cl)nc(NCc4cc(Cl)ccc4OC)nc31)[C@@H](O)[C@@H]2O

BIRTHDAY: 2018-12-03T10:43:15.281252
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccco2)c2c(nnn2Cc2ccccc2F)n1

BIRTHDAY: 2018-12-03T10:43:15.300268
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
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: 2018-12-03T10:43:15.331606
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C43H51N9O6

SMILES: CC(C)n1c(=O)c2nc(-c3cn[nH]c3NC(=O)c3ccccc3[C@@]34C=CC=C[C@H]3OCCOCCOCCN3C=C(C=CC5=CN4CC5)CC3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-03T10:43:15.357849
ATC: C05B
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- ANTIVARICOSE THERAPY
Synthesis Plan
FORMULA:C20H18F3N3O2

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

BIRTHDAY: 2018-12-03T19:11:40.117270
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C26H29FN6O2

SMILES: COc1ccccc1-c1cnc(C2(F)N3CC4CN(C3)CN2C4)nc1N[C@@H](CO)c1ccccc1

BIRTHDAY: 2018-12-03T19:11:40.129069
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C22H23F3N8O3

SMILES: CCCn1c(=O)c2nc(-c3[nH]nc(N)c3NC(=O)c3ccccc3C(F)(F)F)[nH]c2n(CCC)c1=O

BIRTHDAY: 2018-12-03T19:11:40.141591
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C26H34F2N6O3

SMILES: CCCn1c(=O)c2[nH]c([C@H]3CC=C[C@@H]4C[C@@H]5C[C@H](NC(=O)C(C)=C(F)F)[C@@H]4N3C5)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-03T19:11:40.186612
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C23H23ClN8O3

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

BIRTHDAY: 2018-12-03T19:11:40.198375
ATC: V09D
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- HEPATIC AND RETICULO ENDOTHELIAL SYSTEM
Synthesis Plan
FORMULA:C19H19N5O4

SMILES: CNc1nc(C#Cc2ccccc2)nc2ncn([C@@]3(CO)COC(O)(O)C3)c12

BIRTHDAY: 2018-12-03T19:11:40.232426
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C9H18N7O3P

SMILES: CNC(=O)[C@]1(O)CO[C@]2(N[C@@H](C)[PH3+])[N-]N3N=NN[C@H]3[C@@H]21

BIRTHDAY: 2018-12-03T19:11:40.254114
ATC: D06A
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- ANTIBIOTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C15H10F2N6O

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

BIRTHDAY: 2018-12-03T19:11:40.263396
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H18F3N3O2

SMILES: COc1cccc(-c2cnc(C(F)(F)F)nc2N[C@H](CO)c2ccccc2)c1

BIRTHDAY: 2018-12-01T22:30:45.728240
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C18H17N3O4

SMILES: O=C(Nc1ncc2c(n1)CCOC[C@H](O)C(=O)C=C2)c1ccccc1

BIRTHDAY: 2018-12-01T22:30:45.737019
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C23H18ClN3

SMILES: Clc1ccccc1CNc1ncc(-c2ccccc2)c(-c2ccccc2)n1

BIRTHDAY: 2018-12-01T22:30:45.777944
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H26N8O

SMILES: O=C1NC2=NNCn3c(nnc3-c3ccc4c(c3)N[C@@H]3C=C[C@@H]4C3)C2=CN1CCCc1ccccc1

BIRTHDAY: 2018-12-01T22:30:45.801435
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C31H60O3

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

BIRTHDAY: 2018-12-01T22:30:45.830598
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H21N3O3

SMILES: COc1ccc(-c2cc(-c3ccccc3)nc(NC(CO)CO)n2)cc1

BIRTHDAY: 2018-12-01T22:30:45.839204
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C24H39N9O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cc(N[C@@H]4CNCCCCNCCCOC4)n[nH]3)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-01T22:30:45.850994
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C20H18F3N3O2

SMILES: COc1cccc(-c2cnc(C(F)(F)F)nc2N[C@@H](CO)c2ccccc2)c1

BIRTHDAY: 2018-12-01T22:30:45.860961
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C26H22N6O

SMILES: O=C(NCc1ccccc1)Nc1nc(-c2ccccc2)c2ncn(Cc3ccccc3)c2n1

BIRTHDAY: 2018-12-01T22:30:45.883034
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C21H23N3O4

SMILES: COc1ccccc1-c1ncc(NC(CO)CO)c(-c2ccccc2OC)n1

BIRTHDAY: 2018-12-01T22:30:45.892471
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C29H38N6O2

SMILES: CNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@H]1C[C@@H](O)CC(C)(C)CCCCCCCNC1=O

BIRTHDAY: 2018-12-01T22:30:45.903385
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C22H30N6O3

SMILES: CC(C)n1c(=O)c2nc(-c3cnn(C45CCC(CCO4)CC5)c3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-01T22:30:45.913642
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan