matter.farm

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

These compounds may interact with:

LIM domain kinase 1

Potentially involved in: williams-beuren syndrome; carcinoma; supravalvular aortic stenosis; cancer; intracranial aneurysm; abdominal pain; anxiety; arthralgia; autistic disorder; blepharophimosis; bunion; brain ischemia; constipation; depressive disorder; colon diverticulum anatomic structure; diverticular disease of colon; extrapyramidal disorders; flatfoot; hallux valgus; sensorineural hearing loss (disorder)

Disease data sourced from Pharos.

Inhibitor

FORMULA:C28H26N4O4

SMILES: COc1cccc(Nc2cnc(-c3ccccc3C(C)C)nc2)c1C(=O)Nc1ccccc1C(=O)O

BIRTHDAY: 2018-12-01T14:11:01.999154
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C28H31N3O3

SMILES: CC(C)CC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)c1

BIRTHDAY: 2018-12-01T14:11:02.008760
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H19ClN6O

SMILES: CN(C)CC(=O)Nc1ccc(-c2nc(Nc3ccc(Cl)cc3)ncc2C#N)cc1

BIRTHDAY: 2018-12-01T14:11:02.018249
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C27H31F2N9O2

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1CNc1nc(Nc2cccc(F)c2F)c2[nH]c(N)nc2n1)C(=O)N(C)C

BIRTHDAY: 2018-12-01T14:11:02.031935
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C25H35N7O2

SMILES: CC(C)C[C@@H](Nc1nccc(-c2cn(C)c(-c3cccc(C(C)C)n3)n2)n1)C(=O)NCCCO

BIRTHDAY: 2018-12-01T14:11:02.042207
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H30N4O2

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1-c1ccncc1)C(=O)N[C@@H](C)N(C)C

BIRTHDAY: 2018-12-01T14:11:02.051302
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C25H35N7O2

SMILES: CC(C)C[C@H](Nc1nccc(-c2cn(C)c(-c3cccc(C(C)C)n3)n2)n1)C(=O)NCCCO

BIRTHDAY: 2018-12-01T14:11:02.061550
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H19ClN6O

SMILES: CN(C)CC(=O)Nc1ccccc1-c1c(C#N)ncnc1Nc1ccccc1Cl

BIRTHDAY: 2018-12-01T14:11:02.071030
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H26N2O3

SMILES: COc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)(C)C)cc2)c1

BIRTHDAY: 2018-12-01T14:11:02.079803
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H37N5O3

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@@H](C=O)CCCNC(=N)N

BIRTHDAY: 2018-12-01T14:11:02.089279
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C24H34N8O2

SMILES: CC(C)C[C@@H](Nc1cncnc1-c1nc(N)c(-c2cnccc2C(C)C)[nH]1)C(=O)NC(C)(C)O

BIRTHDAY: 2018-12-01T14:11:02.100525
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H15F3N4O2S

SMILES: C[C@]1(C(=O)Nc2cc(F)cc(F)c2)N=C2C(=O)NC=N[C@@]2(Cc2cccc(F)c2)S1

BIRTHDAY: 2018-12-01T14:11:02.112451
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H18FN5OS

SMILES: CC1=NN[C@H](c2nc(-c3cccc(F)c3)cs2)NN1C(=O)c1cccc(C)c1

BIRTHDAY: 2018-12-01T14:11:02.122097
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H27N5O2

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(-c2cccc(-c3nnc[nH]3)c2)c1)C(=O)N(C)C

BIRTHDAY: 2018-12-01T14:11:02.152262
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C22H25N3O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(-c2cccnc2)cc1)C(=O)N[C@@H]1COCC1=O

BIRTHDAY: 2018-12-01T14:11:02.161501
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C24H34N8O2

SMILES: CC(C)C[C@@H](Nc1cncnc1-c1[nH]c(-c2cnccc2C(C)C)nc1N)C(=O)NC(C)(C)O

BIRTHDAY: 2018-12-01T14:11:02.172324
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H39N5O3

SMILES: Cc1cc(C)cc(NC(=O)Nc2cccc(C(=O)N[C@H](CC(C)C)C(=O)NC(C)(C)N(C)C)c2)c1

BIRTHDAY: 2018-12-25T02:03:05.450339
ATC: L02A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONES AND RELATED AGENTS
Synthesis Plan
FORMULA:C21H24N6O3

SMILES: CC(C)C[C@H](NC(=O)c1ccc(CNc2nccc(-c3cn[nH]c3)n2)cc1)C(=O)O

BIRTHDAY: 2018-12-25T02:03:05.460360
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C19H24N2O3

SMILES: COc1ccc2cc1OCC(C)=CCOCCc1nccn1CC2

BIRTHDAY: 2018-12-25T02:03:05.479880
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H26N2O3

SMILES: COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C(C)(C)C)cc1

BIRTHDAY: 2018-12-25T02:03:05.488839
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H38N8O4

SMILES: CC(=O)Nc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN)cc1

BIRTHDAY: 2018-12-25T02:03:05.500976
ATC: H01C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- HYPOTHALAMIC HORMONES
Synthesis Plan
FORMULA:C25H27N3O3

SMILES: COc1ccccc1NC(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1

BIRTHDAY: 2018-12-25T02:03:05.510500
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H30N4O2

SMILES: CC(C)C[C@H](NC(=O)c1cccc(-c2ccncc2)c1)C(=O)N[C@H](C)N(C)C

BIRTHDAY: 2018-12-25T02:03:05.519841
ATC: L02A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONES AND RELATED AGENTS
Synthesis Plan
FORMULA:C20H17ClN4O

SMILES: Nc1cnccc1[C@@]12C=CC=C[C@@]1(Nc1ccccc1Cl)C(O)=CN=C2

BIRTHDAY: 2018-12-25T02:03:05.537860
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C19H27N7

SMILES: CC(C)n1cnc2nc(NCc3ccccc3)nc(N[C@H](C)N(C)C)c21

BIRTHDAY: 2018-12-25T02:03:05.566216
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C21H25N5O3

SMILES: C[C@@H](NC(=O)c1ccccc1NC(=O)Nc1cccc([C@@H]2[CH-]N=[O+]C2)c1)N(C)C

BIRTHDAY: 2018-12-25T02:03:05.576188
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C29H35N7O

SMILES: CC(C)C[C@@H](Nc1cncnc1-c1nc(-c2ccccc2C(C)C)c(N)[nH]1)C(=O)NCc1ccccc1

BIRTHDAY: 2018-12-25T02:03:05.587694
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H19ClN6O

SMILES: CN(C)CC(=O)Nc1cccc(-c2nc(Nc3cccc(Cl)c3)ncc2C#N)c1

BIRTHDAY: 2018-12-25T02:03:05.597636
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H32F3N7O

SMILES: CC(C)C[C@H](Nc1ncc(C(F)(F)F)c(-c2cn(C)c(-c3ccc(C(C)C)cn3)n2)n1)C(=O)N(C)C

BIRTHDAY: 2018-12-25T02:03:05.609708
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C24H22N4O4S

SMILES: COc1ccc2c(c1)SN(C)[C@]13C=CC(C(=O)Nc4cccc(C(=O)O)c4)=C[C@]21N(C)N=C3

BIRTHDAY: 2018-12-25T02:03:05.620787
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C18H25N3O4

SMILES: Cc1ccccc1C(=O)CC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CONN1

BIRTHDAY: 2018-12-25T02:03:05.640402
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H29N5O

SMILES: CC(C)c1c2cncc1-c1ccnc(n1)Nc1cccc(c1)CN[C@H](C)C=CCOC2

BIRTHDAY: 2018-12-03T02:39:08.948582
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C23H31N7O5

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(C(N)=O)c1)C(=O)N[C@@H](CCCNc1ccnc(N)n1)C(=O)O

BIRTHDAY: 2018-12-03T02:39:08.959920
ATC: C03D
- CARDIOVASCULAR SYSTEM
- DIURETICS
- POTASSIUM-SPARING AGENTS
Synthesis Plan
FORMULA:C44H42N8O3

SMILES: CC(C)CC(=O)Nc1ccccc1C(=O)Nc1ccncc1-c1ccncc1-c1c2cccc1-c1ccnc(n1)Nc1cccc(c1)CNCC=CCCO2

BIRTHDAY: 2018-12-03T02:39:08.976365
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H19ClN6O

SMILES: CN(C)CC(=O)Nc1ccccc1-c1ncc(Nc2ccccc2Cl)c(C#N)n1

BIRTHDAY: 2018-12-03T02:39:08.986097
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C25H26N2O3

SMILES: COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(C)(C)C)c2)c1

BIRTHDAY: 2018-12-03T02:39:08.994952
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H26N2O3

SMILES: COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(C)(C)C)c1

BIRTHDAY: 2018-12-03T02:39:09.003808
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C20H29N7O

SMILES: CC(C)n1cnc2c(N[C@H](C)N(C)C)nc(N[C@H](CO)c3ccccc3)nc21

BIRTHDAY: 2018-12-03T02:39:09.013330
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H28N8O

SMILES: Cc1ccc(-n2cnc3c(-c4cn(C)nc4C(N)=O)nc(N[C@H](C)CC(C)C)nc32)cc1

BIRTHDAY: 2018-12-03T02:39:09.023816
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C26H28N4O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(-c2cnc(N)c(Cc3ccc(C(N)=O)cc3)c2)cc1)C(=O)O

BIRTHDAY: 2018-12-03T02:39:09.079039
ATC: A10X
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- OTHER DRUGS USED IN DIABETES
Synthesis Plan
FORMULA:C21H19ClN6O

SMILES: CN(C)CC(=O)Nc1cccc(-c2nc(Nc3ccc(Cl)cc3)ncc2C#N)c1

BIRTHDAY: 2018-12-03T02:39:09.088853
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C24H24N2O3

SMILES: COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)cc1

BIRTHDAY: 2018-12-03T02:39:09.097816
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C24H34N8O2

SMILES: CC(C)C[C@@H](Nc1cncnc1-c1nc(-c2cnccc2C(C)C)c(N)[nH]1)C(=O)NC(C)(C)O

BIRTHDAY: 2018-12-03T02:39:09.108706
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C23H38N8O4

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

BIRTHDAY: 2018-12-03T02:39:09.120089
ATC: G03G
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- GONADOTROPINS AND OTHER OVULATION STIMULANTS
Synthesis Plan
FORMULA:C17H26N6O

SMILES: CC(C)C[C@@H](Nc1nccc(-c2cc(C(N)=O)n(C)n2)n1)C(C)C

BIRTHDAY: 2018-12-03T02:39:09.128499
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C17H26N6O

SMILES: CC(C)C[C@H](Nc1nccc(-c2cnn(C)c2C(N)=O)n1)C(C)C

BIRTHDAY: 2018-12-03T02:39:09.136981
ATC: D06B
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C23H32N4O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(-c2cc(C(C)C)nn2CC(=O)O)cc1)C(=O)N(C)C

BIRTHDAY: 2018-11-30T03:41:06.065783
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C19H18ClN5O

SMILES: CCNC(=O)Nc1ccccc1-c1cncnc1Nc1ccccc1Cl

BIRTHDAY: 2018-11-30T03:41:06.083333
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C19H15F3N6O

SMILES: COc1ccc(Nc2nccc(-c3cnn4nc(C)ccc34)n2)cc1C(F)(F)F

BIRTHDAY: 2018-11-30T03:41:06.093601
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H37N3O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccc2c(c1)OCNCCCCCNCCCC2)C(=O)O

BIRTHDAY: 2018-11-30T03:41:06.102623
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C24H34N8O2

SMILES: CC(C)C[C@H](Nc1cnc(-c2[nH]c(-c3cnccc3C(C)C)nc2N)nc1)C(=O)NC(C)(C)O

BIRTHDAY: 2018-11-30T03:41:06.113357
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C19H24N6OS

SMILES: Cc1nc(-c2cnc(N[C@H](CC(C)C)C(=O)N3CCC[C@H]3C#N)nc2)cs1

BIRTHDAY: 2018-11-30T03:41:06.133864
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C29H32N2O6

SMILES: COc1ccc(NC(=O)c2ccccc2C(C)(C)C)cc1C(=O)Nc1cccc([C@H]2OOC(C)(C)O2)c1

BIRTHDAY: 2018-11-30T03:41:06.144634
ATC: N04A
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- ANTICHOLINERGIC AGENTS
Synthesis Plan
FORMULA:C24H31F3N8O

SMILES: CC(C)C[C@H](Nc1c(-c2nc(N)c(-c3ccncc3C(C)C)[nH]2)ncnc1C(F)(F)F)C(=O)N(C)C

BIRTHDAY: 2018-11-30T03:41:06.167955
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H27N7O2

SMILES: CC(C)C[C@H](Nc1ncnc2[nH]cnc12)C(=O)NCc1cccc(-c2ccccc2C(N)=O)c1

BIRTHDAY: 2018-11-30T03:41:06.178566
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H25N3O4

SMILES: CC(C)C[C@H](NC(=O)c1cccc(-c2ccncc2)c1)C(=O)N[C@@H]1CC(=O)CO1

BIRTHDAY: 2018-11-30T03:41:06.205983
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C19H24N6OS

SMILES: Cc1ncsc1-c1ncncc1N[C@H](CC(C)C)C(=O)N1CC[C@@H](C#N)C1

BIRTHDAY: 2018-11-30T03:41:06.215661
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:C19H19Cl2N5O2

SMILES: C[C@@H](Nc1cnc(C(=O)Nc2cc(Cl)cc(Cl)c2)nc1-c1ccoc1)N(C)C

BIRTHDAY: 2018-11-30T03:41:06.226045
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C25H24N2O3S

SMILES: COc1ccccc1C(=O)Nc1cccc([C@]23C=CC(O)=CC2=NC(C(C)C)=CS3)c1

BIRTHDAY: 2018-11-19T08:13:33.480109
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C23H32N4O3

SMILES: CC(=O)n1nc(C(C)C)cc1-c1ccc(C(=O)N[C@H](CC(C)C)C(=O)N(C)C)cc1

BIRTHDAY: 2018-11-19T08:13:33.489531
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C30H39N11O2S

SMILES: CC(C)C[C@@H](Nc1cncnc1-c1nc(-c2ccncc2C(C)C)c(N)[nH]1)C(=O)N[C@H](C)[C@H]1C(=O)SN[C@@]12CN=CCC=N2

BIRTHDAY: 2018-11-19T08:13:33.505111
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H27N5O2

SMILES: CC(C)C[C@H](NC(=O)c1cccc(-c2cccc(-c3nnc[nH]3)c2)c1)C(=O)N(C)C

BIRTHDAY: 2018-11-19T08:13:33.514635
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C29H33N7O

SMILES: CN(C)CC(=O)Nc1ccc(-c2cccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc23)cc1

BIRTHDAY: 2018-11-19T08:13:33.544780
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C24H29N3O

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(-c2ccncc2)c1)C1=CN2CCC1CC2

BIRTHDAY: 2018-11-19T08:13:33.553389
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C19H26N6O2S

SMILES: Cc1ncsc1-c1ncncc1N[C@@H](CC(C)C)C(=O)N1CC[C@H](C(N)=O)C1

BIRTHDAY: 2018-11-19T08:13:33.563355
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C16H25N7O

SMILES: CC(C)C[C@H](Nc1ncc(-c2n[nH]c(N)c2C(N)=O)cn1)C(C)C

BIRTHDAY: 2018-11-19T08:13:33.571841
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C24H28N4

SMILES: CN(C)CCNc1nccc(-c2ccc(C3(c4ccccc4)CCC3)cc2)n1

BIRTHDAY: 2018-11-19T08:13:33.579885
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis Plan
FORMULA:C25H24N2O4

SMILES: CC(C)(C)c1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1

BIRTHDAY: 2018-11-19T08:13:33.588633
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C27H36N4O5

SMILES: Cc1cc(C)cc(NC(=O)Nc2cccc(C(=O)N[C@H](CC(C)C)C(=O)N3CCOCOCC3)c2)c1

BIRTHDAY: 2018-11-19T08:13:33.600377
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H22N4O3S

SMILES: Cc1[nH]ncc1C(=O)Nc1ccc(-c2ccccc2S(=O)(=O)NC(C)C)cc1

BIRTHDAY: 2018-11-19T08:13:33.609494
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H37N3O2

SMILES: C=CC(=O)N1CCCC=C(c2ccc(NC(=O)CC(C)C)cc2)CCCCNCC1

BIRTHDAY: 2018-11-19T08:13:33.618050
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C36H56N2O2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)Nc1ccccc1-c1ccccc1C(N)=O

BIRTHDAY: 2018-11-19T08:13:33.638209
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C27H34F3N3O

SMILES: CC(C)C[C@@H](N[C@@]1(c2ccccc2F)CCC[C@H]2CCC[C@H]1N2)C(=O)Nc1cccc(F)c1F

BIRTHDAY: 2018-11-19T08:13:33.657766
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H38N8O4

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

BIRTHDAY: 2018-11-19T08:13:33.668958
ATC: G03G
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- GONADOTROPINS AND OTHER OVULATION STIMULANTS
Synthesis Plan
FORMULA:C23H33N5O2

SMILES: CC(C)C[C@H](NC(=O)c1ccc(-c2ccc(N)nc2)cc1)C(=O)NCCCN(C)C

BIRTHDAY: 2018-11-19T08:13:33.677731
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C23H20N2O5

SMILES: COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc3c2OCCO3)c1

BIRTHDAY: 2018-11-19T08:13:33.696980
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H27N9O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1CNc1nc(-c2n[nH]cc2N)c2c(ncn2C)n1)C(=O)O

BIRTHDAY: 2018-11-19T08:13:33.708735
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C30H32ClN3OS

SMILES: CC(C)Cc1c2cccc1Sc1cc(ncn1)-c1cccc(c1)CN[C@@H]1C=CC=C[C@]1(Cl)CCCO2

BIRTHDAY: 2018-11-19T08:13:33.719089
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H25N3O4

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(-c2ccncc2)c1)C(=O)N[C@@H]1CC(=O)CO1

BIRTHDAY: 2018-11-19T08:13:33.728146
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C21H25F3N6O

SMILES: Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccccc1[C@]1(C)CN2C[C@H]3CN(C2)CN1C3

BIRTHDAY: 2018-11-19T08:13:33.747348
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C26H32N4O3

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1

BIRTHDAY: 2018-11-19T08:13:33.766763
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C38H60N2O2

SMILES: C[C@H](C(=O)Nc1cccc(-c2ccc(C(N)=O)cc2)c1)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:13:33.776727
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H25N3O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(-c2ccncc2)cc1)C(=O)N[C@@H]1COCC1=O

BIRTHDAY: 2018-11-19T08:13:33.785699
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C28H27FN2O4

SMILES: O=C(Nc1cccc(C(=O)Nc2cccc(C3(C(=O)O)CCCCCC3)c2)c1)c1ccc(F)cc1

BIRTHDAY: 2018-11-19T08:13:33.806669
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C23H29N9O2

SMILES: CC(C)C[C@@H](CO)NC(=O)c1ccccc1CNc1nc(-c2n[nH]cc2N)c2c(ncn2C)n1

BIRTHDAY: 2018-11-19T08:13:33.817976
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C16H19Cl2N5O

SMILES: Cc1cnc(NCCN(C)C)nc1C(=O)Nc1ccc(Cl)c(Cl)c1

BIRTHDAY: 2018-11-19T08:13:33.826644
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C26H31FN8O

SMILES: CC(C)n1cnc2c(NCc3ccc(C(=O)Nc4ccc(F)cc4)cc3)nc(NCCN(C)C)nc21

BIRTHDAY: 2018-11-19T08:13:33.837415
ATC: M03B
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
Synthesis Plan
FORMULA:C37H35N7O4

SMILES: COc1cccc(C(=O)Nc2ccccc2C(=O)N[C@]2(N)NCC=CCCOc3cccc(c3)-c3ccnc(n3)Nc3cccc2c3)c1

BIRTHDAY: 2018-11-19T08:13:33.852591
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C23H32N4O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(-c2cc(C(C)C)nn2CC(=O)O)cc1)C(=O)N(C)C

BIRTHDAY: 2018-11-19T08:13:33.872183
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C25H26N2O3

SMILES: COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c2)cc1

BIRTHDAY: 2018-11-19T08:13:33.880884
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H35N3O

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1-c1ccncc1)[C@]12CCCCN(CCC1)C2

BIRTHDAY: 2018-11-19T08:13:33.890091
ATC: V09D
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- HEPATIC AND RETICULO ENDOTHELIAL SYSTEM
Synthesis Plan
FORMULA:C18H18F2N4OS

SMILES: CC(C)C[C@@H](Nc1ncnc2ccsc12)C(=O)Nc1cc(F)ccc1F

BIRTHDAY: 2018-11-19T08:13:33.899917
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C28H31N3O3

SMILES: CC(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C(C)C)cc1

BIRTHDAY: 2018-11-19T08:13:33.909186
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C21H24FN7O2

SMILES: CC(C)C[C@H](Nc1cncnc1-c1n[nH]c(N)c1C(N)=O)[C@@]12COC=C1C=CC=C2F

BIRTHDAY: 2018-11-19T08:13:33.921265
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C28H37N5O4

SMILES: Cc1cc(C)cc(NC(=O)Nc2ccccc2C(=O)N[C@H](CC(C)C)C(=O)N2[C@@H]3CNC[C@@H]2COC3)c1

BIRTHDAY: 2018-11-19T08:13:33.941515
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H25N3O4

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(-c2ccncc2)c1)C(=O)N[C@H]1CC(=O)CO1

BIRTHDAY: 2018-11-19T08:13:33.960358
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C24H34N8O2

SMILES: CC(C)C[C@H](Nc1cncnc1-c1nc(-c2cnccc2C(C)C)c(N)[nH]1)C(=O)NC(C)(C)O

BIRTHDAY: 2018-11-19T08:13:33.981028
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C38H60N2O2

SMILES: C[C@@H](C(=O)Nc1ccccc1-c1ccccc1C(N)=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:13:33.991004
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C23H28N6S

SMILES: Cc1csc(-c2nc(N[C@H](CC(C)C)c3ccccc3)c3ncn(C(C)C)c3n2)n1

BIRTHDAY: 2018-11-19T08:13:34.000590
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H26F3N5O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1)C(=O)NCC(N)=O

BIRTHDAY: 2018-11-19T08:13:34.011721
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H19ClN6O

SMILES: CN(C)CC(=O)Nc1ccc(-c2ncc(C#N)c(Nc3cccc(Cl)c3)n2)cc1

BIRTHDAY: 2018-11-19T08:13:34.020970
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C20H28N8OS

SMILES: Cc1scnc1-c1ncnc(-c2[nH]ncc2N)c1N[C@H](CC(C)C)C(=O)NC(C)C

BIRTHDAY: 2018-11-19T08:13:34.032656
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H26N2O3

SMILES: COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1

BIRTHDAY: 2018-11-19T08:13:34.041132
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H27N5O2

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1-c1cn[nH]c1-c1ccccn1)C(=O)N(C)C

BIRTHDAY: 2018-11-19T08:13:34.050869
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H30N6O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1-c1ccccc1[C@]1(C(N)=O)NCC[C@H]2N=CNN21)C(=O)O

BIRTHDAY: 2018-11-19T08:13:34.061785
ATC: B05A
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- BLOOD AND RELATED PRODUCTS
Synthesis Plan
FORMULA:C20H17FN6

SMILES: C=C(C)Nc1nc(-c2ccncc2)c2c(cnn2Cc2cccc(F)c2)n1

BIRTHDAY: 2018-11-19T08:13:34.070779
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H22ClN5O2

SMILES: CN(C)CC(=O)Nc1ccccc1-c1ncc(Nc2ccccc2Cl)c(-c2ccoc2)n1

BIRTHDAY: 2018-11-19T08:13:34.080672
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C27H31F3N8O

SMILES: CC(C)n1cnc2nc(N[C@H](C)N(C)C)nc(NCc3ccccc3C(=O)Nc3ccccc3C(F)(F)F)c21

BIRTHDAY: 2018-11-19T08:13:34.093007
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H36N2O3

SMILES: COc1cccc(C(=O)NCC2(c3ccccc3C(=O)NCC(C)(C)C)CCCCC2)c1

BIRTHDAY: 2018-11-19T08:13:34.101841
ATC: G03G
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- GONADOTROPINS AND OTHER OVULATION STIMULANTS
Synthesis Plan
FORMULA:C22H18F3N3O3

SMILES: O=C(NOCc1ccncc1)c1ccccc1CNC(=O)c1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:13:34.111922
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C27H33N5O4

SMILES: COc1cccc(C(=O)Nc2cccc3c2OCCCC=CCC[C@]2(N3)N[C@@H]3CN[C@H]2[C@@H](N)C3=O)c1

BIRTHDAY: 2018-11-19T08:13:34.131610
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C22H28N2O4S

SMILES: COc1cccc(C(=O)Nc2ccc([C@]3(C(C)C)CCCS(=O)(=O)N3C)cc2)c1

BIRTHDAY: 2018-11-19T08:13:34.140639
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H23N5O2S2

SMILES: COc1ccc2c(c1)NSc1nc(=O)c3sc([C@@H]4CCN5CCC[C@H](C4)C5)nc3n1-2

BIRTHDAY: 2018-11-19T08:13:34.151059
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C24H29N5O2

SMILES: CCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2c[nH]nc2-c2ccncc2)cc1

BIRTHDAY: 2018-11-19T08:13:34.160440
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C20H22N2O4

SMILES: Cc1ccc(NC(=O)c2ccccc2NC(=O)CC(C)C)cc1C(=O)O

BIRTHDAY: 2018-11-19T08:13:34.168650
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C35H66O7

SMILES: CCCCCCCCCCCCCCCCCCCCCCCC1=C(C)[C@H]2O[C@@H](COC[C@H](O)CO1)[C@@H](O)[C@@H](O)[C@H]2O

BIRTHDAY: 2018-11-19T08:13:34.178954
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C24H27N7OS

SMILES: Cc1csc(-c2nc(N[C@@H](CC(C)C)C(=O)Nc3ccccc3)cc(-c3cnn(C)c3)n2)n1

BIRTHDAY: 2018-11-19T08:13:34.199013
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H19ClN6O

SMILES: CN(C)CC(=O)Nc1ccccc1-c1cnc(Nc2ccccc2Cl)nc1C#N

BIRTHDAY: 2018-11-19T08:13:34.208825
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C27H29N5O3

SMILES: COc1cccc(-c2ncc(Nc3cccc(C(=O)NC(C)(C)N(C)C)c3-c3ccco3)cn2)c1

BIRTHDAY: 2018-11-19T08:13:34.218932
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H19ClN6O

SMILES: CN(C)CC(=O)Nc1ccc(-c2nc(Nc3cccc(Cl)c3)ncc2C#N)cc1

BIRTHDAY: 2018-11-19T08:13:34.228313
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C24H34N8O2

SMILES: CC(C)C[C@H](Nc1cncnc1-c1nc(N)c(-c2cnccc2C(C)C)[nH]1)C(=O)NC(C)(C)O

BIRTHDAY: 2018-11-30T17:23:27.907525
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H26N2O3

SMILES: COc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)c1

BIRTHDAY: 2018-11-30T17:23:27.916077
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H27NO2

SMILES: COc1ccccc1C(=O)Nc1ccc(C2CCCCCCC2)cc1

BIRTHDAY: 2018-11-30T17:23:27.932569
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C20H26N4O

SMILES: Cn1cc(C(=O)Nc2ccc([C@@]3(C)CC[C@H]4CC[C@@H](C3)N4)cc2)cn1

BIRTHDAY: 2018-11-30T17:23:27.940678
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C38H60N2O2

SMILES: C[C@H](C(=O)Nc1ccccc1-c1ccccc1C(N)=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-30T17:23:27.950608
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C23H32N4O4

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1-c1cn(CC(=O)O)nc1C(C)C)C(=O)N(C)C

BIRTHDAY: 2018-11-30T17:23:27.960955
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C22H20F2N6O

SMILES: CC(C)C[C@H](Nc1ncnc2nnn(-c3ccc(F)cc3F)c(=O)c12)c1ccccc1

BIRTHDAY: 2018-11-30T17:23:27.992661
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H17N3O4S

SMILES: COc1ccccc1C(=O)NC1=N[S@@]2(C=COC[C@H]2c2ccoc2)N=C1

BIRTHDAY: 2018-11-30T17:23:28.002242
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:C21H21N3OS

SMILES: COc1cccc(Nc2cnc(-c3ccccc3C(C)C)nc2)c1C=S

BIRTHDAY: 2018-11-30T17:23:28.010347
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C25H34N2O2

SMILES: CC(C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(C)C)c1C(C)(C)C

BIRTHDAY: 2018-11-30T17:23:28.018368
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H21F3N4O

SMILES: C=C(C)Nc1ncnc2c1C=C[C@@H](c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)C2

BIRTHDAY: 2018-11-30T17:23:28.028896
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C24H32N4O3

SMILES: Cc1cccc(C)c1NC(=O)Nc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1

BIRTHDAY: 2018-11-30T17:23:28.047281
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C23H27N5O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1-c1ccc(-c2nnc[nH]2)cc1)C(=O)NCCO

BIRTHDAY: 2018-11-30T17:23:28.057256
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C22H25N3O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(-c2ccccn2)cc1)C(=O)N[C@H]1COC(=O)C1

BIRTHDAY: 2018-12-02T16:06:35.964493
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C24H33N7OS

SMILES: CC(C)C[C@H](CO)Nc1nccc(-c2c(-c3ccc([C@@]4(C)CSCCN4)cn3)ncn2C)n1

BIRTHDAY: 2018-12-02T16:06:35.985048
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C19H29N9O2

SMILES: Cc1c(-c2nc(N[C@@H](C(=O)N[C@@H](C)O)C(C)C)nc3ncn(C(C)C)c23)n[nH]c1N

BIRTHDAY: 2018-12-02T16:06:35.996037
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C20H26Cl2N6O

SMILES: C[C@@H](Nc1c(NC2CCCC2)ncnc1C(=O)Nc1cccc(Cl)c1Cl)N(C)C

BIRTHDAY: 2018-12-02T16:06:36.033218
ATC: N04A
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- ANTICHOLINERGIC AGENTS
Synthesis Plan
FORMULA:C20H26Cl2N6O

SMILES: C[C@H](Nc1c(NC2CCCC2)ncnc1C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)C

BIRTHDAY: 2018-12-02T16:06:36.043335
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C29H34ClN3O4

SMILES: C[C@@H]1NC(=O)[C@]2(c3ccc(Cl)cc3)C[C@@H]1[C@@H]2CNCCCOc1ccc2c(c1)O[C@@H]1C[C@H]2CC(=O)N1C

BIRTHDAY: 2018-12-02T16:06:36.054443
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C38H54N6O4

SMILES: CC(C)C[C@H](NC(=O)c1cccc(C(C)(C)C)c1)C(=O)N[C@H](CCCN1CNCCOCCCCOc2cncc1n2)c1ccccc1

BIRTHDAY: 2018-12-02T16:06:36.089878
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C26H21N3O3

SMILES: COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)C1=C(N[C@]3(C#N)C=CC=C[C@H]13)[C@@H]2C

BIRTHDAY: 2018-12-02T16:06:36.099581
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C24H27N7OS

SMILES: Cc1csc(-c2nc(N[C@H](CC(C)C)C(=O)Nc3ccccc3)cc(-c3cnn(C)c3)n2)n1

BIRTHDAY: 2018-12-02T16:06:36.110367
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C24H34N8O2

SMILES: CC(C)C[C@H](Nc1cncnc1-c1[nH]c(-c2cnccc2C(C)C)nc1N)C(=O)NC(C)(C)O

BIRTHDAY: 2018-12-02T16:06:36.121221
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H41N5O3Si

SMILES: CC(C)C[C@@H](N[C@@]1([SiH3])NCCCOCCN[C@H](N)CC1=O)C(=O)N(C)C(C)C

BIRTHDAY: 2018-12-03T10:42:57.807712
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C16H17NO3

SMILES: C[C@@H]1C=CC[C@H](C(=O)Nc2cccc3c2OCO3)C=C1

BIRTHDAY: 2018-12-03T10:42:57.824270
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H26N2O3

SMILES: COc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1

BIRTHDAY: 2018-12-03T10:42:57.832731
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H27N5O

SMILES: CC(C)C[C@H](N[C@@]12C=CC=C[C@@]1(c1n[nH]cc1N)CC=NO2)c1ccccc1

BIRTHDAY: 2018-12-03T10:42:57.842024
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H21N5OSe

SMILES: CN(C)CC(=O)Nc1ccc(-c2nccc(Nc3cccc4[se]ccc34)n2)cc1

BIRTHDAY: 2018-12-03T10:42:57.851405
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C19H17F3N6O

SMILES: COc1cccc(C(F)(F)F)c1Nc1cncnc1-c1cc2n(n1)NCC=C2C

BIRTHDAY: 2018-12-03T10:42:57.861904
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H24N2O3

SMILES: COc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(C)C)cc1

BIRTHDAY: 2018-12-03T10:42:57.888719
ATC: P01A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Synthesis Plan
FORMULA:C37H39N3O5

SMILES: COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2[C@H]2CCCCCOCCCc3ccc(cc3)NC2=O)c1

BIRTHDAY: 2018-12-03T10:42:57.901607
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H25N3O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1-c1ccncc1)C(=O)N[C@H]1CC(=O)CO1

BIRTHDAY: 2018-12-03T10:42:57.929989
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C19H26N6S

SMILES: CC(C)C[C@H](Nc1nc(-c2cnsc2)cc(-c2cnn(C)c2)n1)C(C)C

BIRTHDAY: 2018-12-03T10:42:57.966073
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C22H25N3O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(-c2cccnc2)cc1)C(=O)N[C@H]1COCC1=O

BIRTHDAY: 2018-12-03T19:11:22.845700
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C23H32N4O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1-c1cnn(CC(=O)O)c1C(C)C)C(=O)N(C)C

BIRTHDAY: 2018-12-03T19:11:22.865000
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C14H18N4O2S

SMILES: Cc1csc(-c2cc(N[C@H](CC(C)C)C(=O)O)ncn2)n1

BIRTHDAY: 2018-12-03T19:11:22.873404
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H37N5O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C=O)CCCNC(=N)N

BIRTHDAY: 2018-12-03T19:11:22.882788
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H32N4O3

SMILES: CC(=O)n1cc(-c2ccccc2C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)c(C(C)C)n1

BIRTHDAY: 2018-12-03T19:11:22.901688
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C25H26N6O

SMILES: CN(C)CC(=O)Nc1ccccc1-c1cncnc1Nc1ccc2c(c1)N1C=C[C@H]2CC1

BIRTHDAY: 2018-12-03T19:11:22.920966
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H18FN7OS

SMILES: Nc1cc2c(-c3ccccc3NC(=O)Nc3ccccc3F)csc2nc1-c1[nH]ncc1N

BIRTHDAY: 2018-12-03T19:11:22.932582
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H27N9O

SMILES: Cc1cccc(-n2cnc3nc(N[C@@H](C)CC(C)C)nc(-c4n[nH]c(N)c4C(N)=O)c32)c1

BIRTHDAY: 2018-12-03T19:11:22.965287
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C31H33FN2O3

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C2(C)[C@@H]3[C@H]4[C@H]5[C@@H]6[C@@H]7[C@@H]([C@H]3[C@@H]7[C@@H]52)[C@@H]4N6c2ccc(F)cc2)cc1)C(=O)O

BIRTHDAY: 2018-12-03T19:11:22.976021
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C24H30N6O6

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](CCCNc1ccncn1)C(=O)C(=O)O

BIRTHDAY: 2018-12-03T19:11:22.997384
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C18H15F6N3O3

SMILES: CNC(=O)c1cc(OC)ccc1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

BIRTHDAY: 2018-12-03T19:11:23.008264
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H19N3O5

SMILES: COc1cccc(NC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1

BIRTHDAY: 2018-12-03T19:11:23.029652
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H16F3N7O

SMILES: COc1cccc(C(F)(F)F)c1Nc1cncnc1-c1n[nH]c2c1C=NN[C@@H]2C

BIRTHDAY: 2018-12-01T22:30:27.822232
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H25N3O4

SMILES: CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1C(N)=O)C(=O)O

BIRTHDAY: 2018-12-01T22:30:27.840329
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C23H38N8O4

SMILES: CC(=O)Nc1ccc(C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCN)cc1

BIRTHDAY: 2018-12-01T22:30:27.861076
ATC: H01C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- HYPOTHALAMIC HORMONES
Synthesis Plan
FORMULA:C21H26FN7O

SMILES: CC(C)C[C@H](Nc1cnc(-c2nc(-c3cccc(F)c3)c(N)[nH]2)nc1)C(=O)N(C)C

BIRTHDAY: 2018-12-01T22:30:27.871618
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C25H31N9O2

SMILES: Cc1nn(-c2nc(NCc3cccc(C(=O)N[C@H](C)CC(C)C)c3)c3ncn(C)c3n2)cc1C(N)=O

BIRTHDAY: 2018-12-01T22:30:27.883381
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C20H26N4O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1-c1ccncc1N)C(=O)N[C@@H](C)O

BIRTHDAY: 2018-12-01T22:30:27.892770
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C23H17ClN8O

SMILES: CNc1nccc(-c2cccnc2Nc2cc(NC(=O)c3cccc(C#N)n3)ccc2Cl)n1

BIRTHDAY: 2018-12-01T22:30:27.903551
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H37N5O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@@H](C=O)C(C)(C)NC(=N)N

BIRTHDAY: 2018-12-01T22:30:27.922454
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C21H21N5O2

SMILES: CC(=O)c1ccc2c(c1)-c1nc(-c3noc(C)n3)[nH]c1C=CC(CN(C)C)=C2

BIRTHDAY: 2018-12-01T22:30:27.940977
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C28H27FN2O4

SMILES: O=C(Nc1ccccc1C(=O)Nc1ccccc1C1(C(=O)O)CCCCCC1)c1cccc(F)c1

BIRTHDAY: 2018-12-01T22:30:27.953385
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H29F2N5O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1/C(N)=N/O)C(=O)N1CC[C@H](C(=O)Nc2c(F)cccc2F)C1

BIRTHDAY: 2018-12-01T22:30:27.995878
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C24H30N6O6

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](CCCNc1ncccn1)C(=O)C(=O)O

BIRTHDAY: 2018-12-01T22:30:28.007481
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C25H26N2O3

SMILES: COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(C)(C)C)c1

BIRTHDAY: 2018-12-01T22:30:28.016981
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan