matter.farm

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

These compounds may interact with:

RAC-alpha serine/threonine-protein kinase

Potentially involved in: proteus syndrome; cancer; ovarian cancer; schizophrenia; lung cancer; endometrial cancer; breast cancer; thyroid cancer; bone cancer; kidney cancer; carcinoma; meningioma; skin cancer; beckwith-wiedemann syndrome; in situ carcinoma; vascular disease; diabetes mellitus; obesity; hyperglycemia; alzheimer's disease

Disease data sourced from Pharos.

Inducer

FORMULA:C30H24F3N3O2

SMILES: O=C(N[C@@H](Cc1cc(F)ccc1F)C(=O)N1CCc2ccc(F)cc2C1)c1ccc(-c2cccnc2)cc1

BIRTHDAY: 2018-12-01T14:10:37.839968
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C27H33N7O2

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(CNc2c(C(N)=O)cnc3[nH]cc(-c4cn[nH]c4)c23)cc1)C(C)C

BIRTHDAY: 2018-12-01T14:10:37.850917
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C17H17F3N2O

SMILES: N[C@H](Cc1cccc(F)c1F)C(=O)N1C[C@H]2C=CC=C[C@@]2(F)C1

BIRTHDAY: 2018-12-01T14:10:37.859036
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C30H26N6O

SMILES: CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1

BIRTHDAY: 2018-12-01T14:10:37.869554
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C24H24N4O4

SMILES: NC(=O)COc1ccnc(-c2cccc3[nH]c(=O)c([C@@]45CCCC=C(CCC4)O5)nc23)c1

BIRTHDAY: 2018-12-01T14:10:37.879821
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C14H12N6O2

SMILES: NC(=O)COc1ccnc(-c2cccc3c(N)nnnc23)c1

BIRTHDAY: 2018-12-01T14:10:37.888348
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C23H21N5O3

SMILES: COc1cccc(CNCC(=O)Nc2cccc(-c3noc(-c4ccccn4)n3)c2)c1

BIRTHDAY: 2018-12-01T14:10:37.897981
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C28H29N7O4

SMILES: NC(=O)c1ccc(-c2ccc(C[C@@H](NC(=O)C3(N)CCN(c4ncnc5[nH]ccc45)CC3)C(=O)O)cc2)cc1

BIRTHDAY: 2018-12-01T14:10:37.909996
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C18H17F3N2O

SMILES: N[C@@H](Cc1cc(F)ccc1F)C(=O)N1CCc2ccc(F)cc2C1

BIRTHDAY: 2018-12-01T14:10:37.918407
ATC: V10A
- VARIOUS
- THERAPEUTIC RADIOPHARMACEUTICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C21H20F3N5O

SMILES: N[C@@H](Cc1cc(F)ccc1F)C(=O)N1CCN(c2ncnc3cc(F)ccc23)CC1

BIRTHDAY: 2018-12-01T14:10:37.928927
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H25F2N3O2

SMILES: N[C@@H](Cc1ccccc1F)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1

BIRTHDAY: 2018-12-01T14:10:37.946737
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C9H20BN3O4

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

BIRTHDAY: 2018-12-01T14:10:37.954708
ATC: V08D
- VARIOUS
- CONTRAST MEDIA
- ULTRASOUND CONTRAST MEDIA
Synthesis Plan
FORMULA:C24H31N7O3

SMILES: COc1ccccc1CNc1nc(-c2cnn(C)c2)ncc1C(=O)NCCCN1CCOCC1

BIRTHDAY: 2018-12-01T14:10:37.965570
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C9H20BN3O4

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

BIRTHDAY: 2018-12-01T14:10:37.973490
ATC: J04B
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF LEPRA
Synthesis Plan
FORMULA:C18H22N4O6S

SMILES: COc1ccc(CNC(=O)C(=O)N[C@@]23C=CC=C[C@H]2NS(=O)(=O)NC3)cc1OC

BIRTHDAY: 2018-12-01T14:10:37.983904
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C21H21F2N5O

SMILES: N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ncnc3ccc(F)cc23)CC1

BIRTHDAY: 2018-12-01T14:10:37.993662
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C31H32F2N6O4

SMILES: N[C@@H](CO)COc1ccnc(-c2ccccc2Nc2c3cccc2OCC(C(F)F)=CCn2cnc(c2)C(=O)CNC3)c1

BIRTHDAY: 2018-12-01T14:10:38.006945
ATC: H01C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- HYPOTHALAMIC HORMONES
Synthesis Plan
FORMULA:C18H19F3N2O

SMILES: N[C@@H](Cc1cccc(F)c1F)C(=O)N1CCC[C@@H]2C=CC=C[C@@]21F

BIRTHDAY: 2018-12-01T14:10:38.014949
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C27H35N5O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(CNc2nc3c(cc2C(N)=O)C(=O)NCC2(CC2)O3)cc1)C(C)C

BIRTHDAY: 2018-12-01T14:10:38.025441
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C26H18N6O

SMILES: O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1

BIRTHDAY: 2018-12-25T02:02:40.430588
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C30H30N6O

SMILES: CC(C)(C)c1ccccc1C(=O)Nc1ccccc1-c1nnc2n1C[C@@]13C=CC=C[C@@]1(N=CC=C3)NC2

BIRTHDAY: 2018-12-25T02:02:40.441606
ATC: A10X
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- OTHER DRUGS USED IN DIABETES
Synthesis Plan
FORMULA:C18H17F3N2O

SMILES: N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N1CCc2cc(F)ccc2C1

BIRTHDAY: 2018-12-25T02:02:40.449827
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H28N6O3

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(-c2nc(-c3ccncc3)no2)c1)C(=O)N(C)N(C)C

BIRTHDAY: 2018-12-25T02:02:40.460353
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C18H19F3N2O

SMILES: N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N1CCC[C@H]2C=CC=C[C@]21F

BIRTHDAY: 2018-12-25T02:02:40.468643
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis Plan
FORMULA:C22H19F3N4O

SMILES: N[C@H](COc1ccnc(-c2cccc3[nH]nc(C(F)(F)F)c23)c1)Cc1ccccc1

BIRTHDAY: 2018-12-25T02:02:40.479265
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C28H28N4O

SMILES: NC1(c2ccc(-c3nc4cc(C(=O)NCC5CC5)ccn4c3-c3ccccc3)cc2)CCC1

BIRTHDAY: 2018-12-25T02:02:40.488875
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C12H12F2N2

SMILES: N[C@H](Cc1cccc(F)c1F)c1c[nH+]c[cH-]1

BIRTHDAY: 2018-12-25T02:02:40.495903
ATC: A11C
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
Synthesis Plan
FORMULA:C17H18N4O3

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

BIRTHDAY: 2018-12-25T02:02:40.504061
ATC: R01A
- RESPIRATORY SYSTEM
- NASAL PREPARATIONS
- DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C21H25N3O4

SMILES: CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1-c1ccc(C(N)=O)cc1)C(=O)O

BIRTHDAY: 2018-12-25T02:02:40.513029
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C18H19F3N2O

SMILES: N[C@@H](Cc1ccc(F)cc1F)C(=O)N1CCC[C@@H]2C=C(F)C=C[C@@H]21

BIRTHDAY: 2018-12-25T02:02:40.521136
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C24H23FN4O3

SMILES: O=C(NCc1ccccc1F)C(=O)Nc1ccccc1-c1ccncc1N1CCOCC1

BIRTHDAY: 2018-12-25T02:02:40.531292
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C25H22N6O

SMILES: O=C(Nc1ccc(-c2nnc3n2C[C@@H]2CNCN2c2ccccc2-3)cc1)c1ccccc1

BIRTHDAY: 2018-12-25T02:02:40.551330
ATC: A05B
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:C28H25FN4O2

SMILES: CC(C)(C)n1ncc2c3cc(F)ccc3n(CC(=O)Nc3ccc(-c4ccccc4)cc3)c(=O)c21

BIRTHDAY: 2018-12-25T02:02:40.561574
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C23H28N6O3

SMILES: CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccnc3)n2)cc1)C(=O)N(C)N(C)C

BIRTHDAY: 2018-12-25T02:02:40.572029
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C18H20ClFN2O

SMILES: N[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H]2C=CC=C[C@@]21Cl

BIRTHDAY: 2018-12-25T02:02:40.579836
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C27H31N3O2

SMILES: CC(C)(C)c1ccc(CNCCc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)cc1

BIRTHDAY: 2018-12-25T02:02:40.588737
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H41N5O3

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

BIRTHDAY: 2018-12-25T02:02:40.598557
ATC: V08D
- VARIOUS
- CONTRAST MEDIA
- ULTRASOUND CONTRAST MEDIA
Synthesis Plan
FORMULA:C30H30N6O

SMILES: CC(C)(C)c1ccccc1C(=O)Nc1ccccc1-c1nnc2n1[C@@H]1N=CC=C[C@]13C=CC=C[C@@H]3NC2

BIRTHDAY: 2018-12-25T02:02:40.609659
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C19H18F3N3O2

SMILES: NC(=O)[C@@H]1Cc2ccc(F)cc2CN1C(=O)[C@H](N)Cc1cc(F)ccc1F

BIRTHDAY: 2018-12-03T02:38:44.232255
ATC: C09X
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- OTHER AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
Synthesis Plan
FORMULA:C21H23F2N5O

SMILES: N[C@H](Cc1cccc(F)c1)C(=O)N1CCN([C@@H]2N=CN=C3C(F)=CC=C[C@H]32)CC1

BIRTHDAY: 2018-12-03T02:38:44.242038
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C29H32ClN3O2

SMILES: NC(=O)c1cc2ccc1OC[C@H](c1ccccc1Cl)CCCCNC[C@]13C=CCC[C@@]21C=NC=C3

BIRTHDAY: 2018-12-03T02:38:44.252312
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H25F2N3O2

SMILES: N[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](C(=O)NCc2cccc(F)c2)C1

BIRTHDAY: 2018-12-03T02:38:44.261379
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C28H29N7O4

SMILES: NC(=O)c1ccccc1-c1ccccc1C[C@@H](NC(=O)[C@]1(N)CCCCN1c1ncc2cc[nH]c2n1)C(=O)O

BIRTHDAY: 2018-12-03T02:38:44.284221
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C27H24N6O

SMILES: O=C(NCc1ccccc1-c1nnc2n1C[C@]13C=CC=C[C@@]1(N=CC=C3)NC2)c1ccccc1

BIRTHDAY: 2018-12-03T02:38:44.294629
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C23H21N5O3

SMILES: COc1ccc(CNCC(=O)Nc2cccc(-c3noc(-c4ccccn4)n3)c2)cc1

BIRTHDAY: 2018-12-03T02:38:44.304235
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H19N3O4

SMILES: CC(C)(C)c1cccc2c1NON2c1c(C(N)=O)cccc1C(=O)O

BIRTHDAY: 2018-12-03T02:38:44.313815
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C10H24BN3O3

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

BIRTHDAY: 2018-12-03T02:38:44.339839
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C21H25N3O4

SMILES: CC(C)[C@@H](N)C(=O)N[C@H](Cc1ccccc1-c1ccc(C(N)=O)cc1)C(=O)O

BIRTHDAY: 2018-12-03T02:38:44.348855
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C21H24N4O3

SMILES: CC(C)(C)c1ccccc1-c1noc(-c2cccc(C(N)(N)CC(=O)O)c2)n1

BIRTHDAY: 2018-12-03T02:38:44.357770
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:C38H36N6O3

SMILES: CC(C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1-c1cc2cc(c1)Nc1ccnc(n1)Nc1cccc(c1)C=C2)C(=O)O

BIRTHDAY: 2018-12-03T02:38:44.370942
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C25H23N5O3

SMILES: N[C@H](COc1ccnc(-c2ccccc2N2C(=O)C(=O)[C@H]3C=CC=C[C@H]32)c1)Cc1ncc[nH]1

BIRTHDAY: 2018-12-03T02:38:44.381934
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C22H20N6O3

SMILES: COc1ccccc1C(N)(N)C(=O)Nc1ccccc1-c1nc(-c2cccnc2)no1

BIRTHDAY: 2018-12-03T02:38:44.392586
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H20F3N5O

SMILES: N[C@H](Cc1cc(F)ccc1F)C(=O)N1CCN(c2ncnc3cc(F)ccc23)CC1

BIRTHDAY: 2018-12-03T02:38:44.402752
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H21N5O3

SMILES: N[C@@H](COc1cncc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1)Cc1cnc[nH]1

BIRTHDAY: 2018-11-30T03:40:40.504662
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H22N6O

SMILES: O=C(Nc1ccccc1-c1nnc2n1[C@H]1N=CC=C[C@]13C=CC=C[C@H]3NC2)c1ccccc1

BIRTHDAY: 2018-11-30T03:40:40.515169
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H35N7O3

SMILES: CC(C)C[C@@H](N)C(=O)N[C@H](C(=O)N[C@@H](CO)c1ccccc1)C(C)(C)N/C(N)=N/N

BIRTHDAY: 2018-11-30T03:40:40.525476
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C26H29N7O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(CNc2cc(C(N)=O)c3c(-c4cnn(C)c4)c[nH]c3n2)cc1)C(=O)O

BIRTHDAY: 2018-11-30T03:40:40.536871
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H26FN5O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(CNc2ncc(C(N)=O)c3[nH]c4ccc(F)cc4c23)cc1)C(=O)O

BIRTHDAY: 2018-11-30T03:40:40.547985
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C17H24N2O2

SMILES: CC(C)(C)c1ccccc1CN[C@@]12CC(=O)CN(CO1)C2

BIRTHDAY: 2018-11-30T03:40:40.555437
ATC: G04C
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- DRUGS USED IN BENIGN PROSTATIC HYPERTROPHY
Synthesis Plan
FORMULA:C29H29N7O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(CNc2ncc(C(N)=O)c3[nH]c4ccc(-c5cn[nH]c5)cc4c23)cc1)C(=O)O

BIRTHDAY: 2018-11-30T03:40:40.567731
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C30H30N6O

SMILES: CC(C)(C)c1ccccc1C(=O)Nc1ccccc1-c1nnc2n1C[C@]13C=CC=C[C@@]1(N=CC=C3)NC2

BIRTHDAY: 2018-11-30T03:40:40.578661
ATC: A10X
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- OTHER DRUGS USED IN DIABETES
Synthesis Plan
FORMULA:C27H33N7O2

SMILES: CC(C)C[C@H](NC(=O)c1ccc(CNc2cc(C(N)=O)c3[nH]cc(-c4cn[nH]c4)c3n2)cc1)C(C)C

BIRTHDAY: 2018-11-30T03:40:40.589522
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H18N4O3

SMILES: NC1(COc2ccc(-c3ccc4nc(-c5ccco5)c(=O)[nH]c4c3)cn2)CC1

BIRTHDAY: 2018-11-30T03:40:40.598527
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C21H22FN5O

SMILES: N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1

BIRTHDAY: 2018-11-30T03:40:40.616072
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C26H22N6O

SMILES: O=C(Nc1ccccc1-c1nnc2n1C[C@]13C=CC=C[C@@]1(N=CC=C3)NC2)c1ccccc1

BIRTHDAY: 2018-11-30T03:40:40.635316
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C25H26N6O2

SMILES: CC(C)(C)c1ccccc1C(N)(N)C(=O)Nc1ccccc1-c1nc(-c2ccncc2)no1

BIRTHDAY: 2018-11-30T03:40:40.647297
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C25H31N5O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(CNc2nc3[nH]c(C(C)C)cc3cc2C(N)=O)cc1)C(=O)O

BIRTHDAY: 2018-11-30T03:40:40.657598
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C30H26N6O

SMILES: CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3ccccc3Nc3ncccc3-4)cc2)cc1

BIRTHDAY: 2018-11-30T03:40:40.668050
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C18H19F3N2O

SMILES: N[C@H](Cc1cccc(F)c1F)C(=O)N1CCC[C@@H]2C=CC=C[C@]21F

BIRTHDAY: 2018-11-30T03:40:40.685894
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C18H25F2N3O3S

SMILES: N[C@H](Cc1c(F)cccc1F)C(=O)N1CCN([C@H]2CCCCS2(=O)=O)CC1

BIRTHDAY: 2018-11-19T08:14:37.063546
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C21H18N4O3

SMILES: NC1(COc2ncccc2-c2ccc3[nH]c(=O)c(-c4ccco4)nc3c2)CC1

BIRTHDAY: 2018-11-19T08:14:37.082304
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C11H10F2N2O4S

SMILES: N[C@@H](Cc1cccc(F)c1F)C1=C(O)OS(=O)(=O)N=C1

BIRTHDAY: 2018-11-19T08:14:37.091138
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C34H33N5O3

SMILES: Nc1ccc(C(=O)Nc2ccc(-c3cncc(OC[C@@H](Cc4ccccc4)NC[C@H](O)c4ccccc4)c3)cc2)cn1

BIRTHDAY: 2018-11-19T08:14:37.103185
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C28H28N4O

SMILES: CC1(NC(=O)c2cccn3c(-c4ccccc4C4(N)CCC4)nc(-c4ccccc4)c23)CC1

BIRTHDAY: 2018-11-19T08:14:37.112868
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C27H31N5O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1CNc1ccccn1)C(=O)NCc1ccccc1C(N)=O

BIRTHDAY: 2018-11-19T08:14:37.123970
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H25N3O4

SMILES: CC(C)[C@@H](N)C(=O)N[C@@H](Cc1ccc(-c2ccccc2C(N)=O)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:14:37.133126
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C27H25N3O2

SMILES: COc1ccc(CNCc2ccc(C(=O)Nc3ccc(-c4ccccn4)cc3)cc2)cc1

BIRTHDAY: 2018-11-19T08:14:37.142107
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C26H36N6O6

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1[C@@H](N)N1CCOCC(=O)CCCOc2cncc(n2)NC1)C(=O)O

BIRTHDAY: 2018-11-19T08:14:37.164906
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C26H22N6O

SMILES: O=C(Nc1ccccc1-c1nnc2n1C[C@]13C=CC=C[C@]1(N=CC=C3)NC2)c1ccccc1

BIRTHDAY: 2018-11-19T08:14:37.175347
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C22H24N2O2

SMILES: CC(C)(C)c1cccc2c1[C@@H]1CC[C@@H]2C(=O)N1c1ccccc1C(N)=O

BIRTHDAY: 2018-11-19T08:14:37.183851
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C26H30N4O2

SMILES: CC(C)(C)c1ccccc1C(N)(N)Cc1ccccc1C(=O)Nc1ccc(C(N)=O)cc1

BIRTHDAY: 2018-11-19T08:14:37.194132
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C30H34N6O

SMILES: CC(C)C[C@H](C(N)=O)N1CC=CCCn2ccc3ccc(cc32)-c2ccnc(n2)Nc2cccc(c2)C1

BIRTHDAY: 2018-11-19T08:14:37.205032
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C24H30FNO

SMILES: CC(C)(C)c1ccccc1CNC(=O)C1(c2ccccc2F)CCCCC1

BIRTHDAY: 2018-11-19T08:14:37.221980
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C38H44N4O6

SMILES: CC(C)[C@@]1(C)C=Cc2cc(cnc2C(=O)NCc2cccc3c2OCC=CC(=O)CNCc2cccc(c2)CN3)OCCCOC(=O)C1

BIRTHDAY: 2018-11-19T08:14:37.235489
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C18H25N3O

SMILES: CC(C)(C)c1ccc(CNCC(=O)N2CCC[C@H]2C#N)cc1

BIRTHDAY: 2018-11-19T08:14:37.251719
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C14H27N5O5

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

BIRTHDAY: 2018-11-19T08:14:37.261039
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C25H31N7O3

SMILES: CC(C)C[C@H](NC(=O)c1ccc(CNc2ccc(C(N)=O)cc2-n2cncn2)cc1)C(=O)N(C)C

BIRTHDAY: 2018-11-19T08:14:37.272422
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C25H35F2N5O2

SMILES: CC(C)(C)c1[nH]c2nc1CCNC(=O)[C@H](NC(=O)C[C@H](N)Cc1cc(F)ccc1F)CCCC2

BIRTHDAY: 2018-11-19T08:14:37.282855
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C23H19N5O2

SMILES: NC(=O)c1ccccc1C(=O)NCc1ccccc1-c1ccncc1-c1ccn[nH]1

BIRTHDAY: 2018-11-19T08:14:37.292409
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C22H27N5O2

SMILES: CC(C)C[C@H](NC(=O)c1cccc(CNc2ccccc2)c1)C(=O)N(C)NC#N

BIRTHDAY: 2018-11-19T08:14:37.302071
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C32H34N6O2

SMILES: CC(C)(C)C1=NN2c3ccccc3-n3c(nnc3-c3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)C[C@H]2O1

BIRTHDAY: 2018-11-19T08:14:37.334711
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H30N8O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1CNc1c(C(N)=O)ncc2c1N[C@@H](c1n[nH]cc1N)C2)C(=O)O

BIRTHDAY: 2018-11-19T08:14:37.366240
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C17H15F3N2O

SMILES: N[C@@H](Cc1cc(F)ccc1F)C(=O)N1Cc2ccc(F)cc2C1

BIRTHDAY: 2018-11-19T08:14:37.374517
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis Plan
FORMULA:C30H26N6O

SMILES: CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3ncccc3Nc3ccccc3-4)cc2)cc1

BIRTHDAY: 2018-11-19T08:14:37.395850
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C22H27N3O4

SMILES: CC(C)C[C@@H](N)C(=O)N[C@H](Cc1ccc(-c2cccc(C(N)=O)c2)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:14:37.405236
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C30H30N6O

SMILES: CC(C)(C)c1ccccc1C(=O)Nc1ccccc1-c1nnc2n1[C@@H]1N=CC=C[C@@]13C=CC=C[C@@H]3NC2

BIRTHDAY: 2018-11-19T08:14:37.426725
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C25H23N5O3

SMILES: N[C@@H](COc1ccnc(-c2ccccc2N2C(=O)C(=O)[C@@H]3C=CC=C[C@@H]32)c1)Cc1c[nH]cn1

BIRTHDAY: 2018-11-19T08:14:37.437876
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C22H25F3N6O3

SMILES: COc1cccc(CNc2cnc(C(=O)NC(C)(C)N3CCOCC3)nc2C#N)c1C(F)(F)F

BIRTHDAY: 2018-11-19T08:14:37.449088
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C29H29N7O4

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1CNc1c(C(N)=O)ncc2c1[nH]c1c(-c3ccn[nH]3)cccc12)C(=O)O

BIRTHDAY: 2018-11-19T08:14:37.462592
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C18H17F3N2O

SMILES: N[C@H](Cc1cc(F)ccc1F)C(=O)N1CCc2ccc(F)cc2C1

BIRTHDAY: 2018-11-19T08:14:37.471018
ATC: V10A
- VARIOUS
- THERAPEUTIC RADIOPHARMACEUTICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C25H31N5O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1CNc1c(C(N)=O)ncc2c(C(C)C)c[nH]c12)C(=O)O

BIRTHDAY: 2018-11-19T08:14:37.482024
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C17H18N4O3

SMILES: COc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=N)N

BIRTHDAY: 2018-11-19T08:14:37.490523
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C22H28N6O4

SMILES: COc1ccc(CNc2cnc(C#N)nc2C(=O)NC(C)(C)N2CCOCC2)c(OC)c1

BIRTHDAY: 2018-11-19T08:14:37.501227
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C24H28N6O5

SMILES: Cc1[nH]c2ncc(C(N)=O)c(NCc3ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc3)c2c1C(N)=O

BIRTHDAY: 2018-11-19T08:14:37.512617
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C9H13N3O

SMILES: N[C@H]1[C@@H]2C[C@@H]3[C@H]1O[C@@H]1NC=N[C@@]13C2

BIRTHDAY: 2018-11-19T08:14:37.519522
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C22H25F3N6O3

SMILES: COc1ccc(CNc2nc(C#N)ncc2C(=O)NCCCN2CCOCC2)cc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:14:37.531026
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C22H21FN6O

SMILES: N#C[C@]1(n2nccc2-c2ccccn2)CCCN1C(=O)[C@H](N)Cc1ccccc1F

BIRTHDAY: 2018-11-19T08:14:37.542113
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H21F2N5O

SMILES: N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1

BIRTHDAY: 2018-11-19T08:14:37.551845
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C26H31N5O2

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(CNc2ccccc2)c1)C(=O)N(C)Nc1ccccn1

BIRTHDAY: 2018-11-19T08:14:37.562171
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C24H23FN4O3

SMILES: O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc(-c2cccc(N3CCOCC3)n2)cc1

BIRTHDAY: 2018-11-19T08:14:37.572064
ATC: A07E
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C27H35N7O2

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1CNc1c(C(N)=O)ncc2c1N[C@@H](c1ccn[nH]1)C2)C(C)C

BIRTHDAY: 2018-11-19T08:14:37.583026
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C15H24BN3O4

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

BIRTHDAY: 2018-11-19T08:14:37.592017
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C24H26F2N4O2S

SMILES: CC(C)C[C@@H](NC1(c2nc3ccc(C(N)=O)cc3s2)CCC1)C(=O)Nc1ccc(F)cc1F

BIRTHDAY: 2018-11-19T08:14:37.602694
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C22H19F3N4O

SMILES: N[C@@H](COc1ccc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)cn1)Cc1ccccc1

BIRTHDAY: 2018-11-19T08:14:37.612424
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C19H20N2O5

SMILES: N#CC1=CCCCCCCC=C(C(N)=O)C(=O)[C@@H](c2ccco2)OC1=O

BIRTHDAY: 2018-11-19T08:14:37.621715
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C30H30N6O

SMILES: CC(C)(C)c1ccccc1C(=O)Nc1ccccc1-c1nnc2n1C[C@]13C=CC=C[C@]1(N=CC=C3)NC2

BIRTHDAY: 2018-11-19T08:14:37.650624
ATC: A10X
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- OTHER DRUGS USED IN DIABETES
Synthesis Plan
FORMULA:C6H10S2

SMILES: CC1CSC=CSC1

BIRTHDAY: 2018-11-19T08:14:37.655638
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C23H18FN3O3

SMILES: NC1(COc2cncc(-c3ccc(N4C(=O)c5cccc(F)c5C4=O)cc3)c2)CC1

BIRTHDAY: 2018-11-19T08:14:37.687069
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H22F3N3O2

SMILES: N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1

BIRTHDAY: 2018-11-19T08:14:37.696599
ATC: H01C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- HYPOTHALAMIC HORMONES
Synthesis Plan
FORMULA:C24H41N5O3

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

BIRTHDAY: 2018-11-19T08:14:37.706473
ATC: V08D
- VARIOUS
- CONTRAST MEDIA
- ULTRASOUND CONTRAST MEDIA
Synthesis Plan
FORMULA:C21H21ClFN5O2

SMILES: N[C@@H](Cc1cccc(F)c1)C(=O)N1CCCC[C@@H]1c1noc(-c2cnccc2Cl)n1

BIRTHDAY: 2018-11-19T08:14:37.726298
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C9H20BN3O4

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

BIRTHDAY: 2018-11-19T08:14:37.734334
ATC: J04B
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF LEPRA
Synthesis Plan
FORMULA:C25H26N6O2

SMILES: CC(C)(C)c1ccccc1C(N)(N)C(=O)Nc1ccccc1-c1noc(-c2ccncc2)n1

BIRTHDAY: 2018-11-19T08:14:37.746220
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C26H30N4O2

SMILES: CC(C)(C)c1ccccc1C(N)(N)Cc1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1

BIRTHDAY: 2018-11-19T08:14:37.756245
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C36H45N7O5

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1[C@]1(N)C(C)(C)C[C@@]1(N)C(N)=O)C(=O)N[C@H](C(=O)c1ccccc1)[C@@H](C)c1ccnc2c1NCO2

BIRTHDAY: 2018-11-19T08:14:37.775767
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C18H17F3N2O

SMILES: N[C@@H](Cc1cccc(F)c1F)C(=O)N1CCc2cc(F)ccc2C1

BIRTHDAY: 2018-11-19T08:14:37.784028
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C17H17F3N2O

SMILES: N[C@@H](Cc1cccc(F)c1F)C(=O)N1C[C@@H]2C=CC=C[C@]2(F)C1

BIRTHDAY: 2018-11-19T08:14:37.792234
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C11H20

SMILES: CC1(C)C[C@H]2CC[C@H]1C2(C)C

BIRTHDAY: 2018-11-19T08:14:37.814652
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C19H25N3O

SMILES: CC(C)(C)c1ccccc1C(N)(N)Cc1ccccc1C(N)=O

BIRTHDAY: 2018-11-19T08:14:37.822708
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C18H17F3N2O

SMILES: N[C@H](Cc1ccc(F)cc1F)C(=O)N1CCc2ccc(F)cc2C1

BIRTHDAY: 2018-11-19T08:14:37.831068
ATC: V10A
- VARIOUS
- THERAPEUTIC RADIOPHARMACEUTICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C24H32N2O

SMILES: CC(C)(C)c1ccc(CNCC[C@@]2(c3ccccc3)CCNC(=O)C2)cc1

BIRTHDAY: 2018-11-19T08:14:37.838779
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C26H22N6O

SMILES: O=C(Nc1ccccc1-c1nnc2n1C[C@@]13C=CC=C[C@@]1(N=CC=C3)NC2)c1ccccc1

BIRTHDAY: 2018-11-19T08:14:37.849318
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C9H20BN3O4

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

BIRTHDAY: 2018-11-19T08:14:37.857430
ATC: V08D
- VARIOUS
- CONTRAST MEDIA
- ULTRASOUND CONTRAST MEDIA
Synthesis Plan
FORMULA:C19H29N5O5

SMILES: CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1ccc(C(N)=O)cc1)C(=O)N[C@H](CO)C(N)=O

BIRTHDAY: 2018-11-19T08:14:37.867599
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C15H24BN3O4

SMILES: CC(C)[C@H](N)C(=O)N[C@H](CCc1ccc(C(N)=O)cc1)B(O)O

BIRTHDAY: 2018-11-19T08:14:37.876080
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H26N2O

SMILES: CC(C)(C)c1ccc(CNCCc2ccc(C(N)=O)cc2)cc1

BIRTHDAY: 2018-11-19T08:14:37.882905
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C22H19F3N4O

SMILES: N[C@H](COc1cccc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)n1)Cc1ccccc1

BIRTHDAY: 2018-11-19T08:14:37.892930
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H23N5O3

SMILES: N[C@H](COc1ccnc(-c2ccccc2N2C(=O)C(=O)[C@H]3C=CC=C[C@@H]32)c1)Cc1c[nH]cn1

BIRTHDAY: 2018-11-19T08:14:37.904131
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C27H29N5O2

SMILES: CC(C)(C)c1ccc(CNCCC(=O)Nc2ccc(-c3nc(-c4cccnc4)no3)cc2)cc1

BIRTHDAY: 2018-11-19T08:14:37.913923
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C36H32F3N7O

SMILES: O=C([C@H](Cc1ccc(F)cc1F)Nc1cc2nc(n1)Nc1cncc(c1)CCc1cccc(c1)CN2)N1CCCc2c(F)cccc21

BIRTHDAY: 2018-11-30T17:23:02.326469
ATC: P01A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Synthesis Plan
FORMULA:C26H32N4O5

SMILES: CC(C)C[C@H](NC(=O)c1cccc2c3ccc(c12)CCNC(=O)C(=O)NCCC=CCO3)C(N)=O

BIRTHDAY: 2018-11-30T17:23:02.358051
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C26H26FN5O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(CNc2ncc(C(N)=O)c3[nH]c4ccc(F)cc4c23)cc1)C(=O)O

BIRTHDAY: 2018-11-30T17:23:02.377466
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C22H19F3N4O3

SMILES: NC(=O)c1ccc(NC(=O)c2ccccc2C(N)(N)c2ccccc2OC(F)(F)F)cc1

BIRTHDAY: 2018-11-30T17:23:02.398986
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C28H28N4O

SMILES: CC1(NC(=O)c2cccc3c(-c4ccccc4)nc(-c4ccccc4C4(N)CCC4)n23)CC1

BIRTHDAY: 2018-11-30T17:23:02.408477
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C18H19F3N2O

SMILES: N[C@@H](Cc1cccc(F)c1F)C(=O)N1CC[C@@H]2C=CC=C[C@]2(F)C1

BIRTHDAY: 2018-11-30T17:23:02.416669
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C22H25F2N3O2

SMILES: N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(F)cc1

BIRTHDAY: 2018-11-30T17:23:02.435858
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C21H24FN5O

SMILES: N[C@H](Cc1cccc(F)c1)C(=O)N1CCN([C@@]23C=CC=C[C@H]2C=NC=N3)CC1

BIRTHDAY: 2018-11-30T17:23:02.455820
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C30H26N6O

SMILES: CC(C)(C)c1cccc(C(=O)Nc2cccc(-c3nnc4n3-c3ccccc3Nc3ncccc3-4)c2)c1

BIRTHDAY: 2018-11-30T17:23:02.486911
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C18H25N3O

SMILES: CC(C)(C)c1ccc(CNCC(=O)N2CCC[C@@H]2C#N)cc1

BIRTHDAY: 2018-11-30T17:23:02.494043
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C28H23FN2O2

SMILES: O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1Cc2ccccc2C1)c1ccc2ccccc2c1

BIRTHDAY: 2018-11-30T17:23:02.504120
ATC: J01E
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- SULFONAMIDES AND TRIMETHOPRIM
Synthesis Plan
FORMULA:C21H25N3O4

SMILES: CC(C)[C@H](N)C(=O)N[C@H](Cc1ccc(-c2cccc(C(N)=O)c2)cc1)C(=O)O

BIRTHDAY: 2018-12-02T16:06:11.361643
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C21H20F3N5O

SMILES: N[C@@H](Cc1ccc(F)cc1F)C(=O)N1CCN(c2ncnc3cc(F)ccc23)CC1

BIRTHDAY: 2018-12-02T16:06:11.371916
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C20H24N6O2

SMILES: COc1ccccc1CNC(=O)[C@]1(N)CCCCN1c1ncc2cc[nH]c2n1

BIRTHDAY: 2018-12-02T16:06:11.381683
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C18H18F2N2O

SMILES: N[C@@H](Cc1cc(F)ccc1F)C(=O)N1CCc2ccccc2C1

BIRTHDAY: 2018-12-02T16:06:11.400151
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C37H47N5O5

SMILES: N[C@@H](COc1cncc(-c2ccc(N3C(=O)[C@H]4OCCOC=CCNC5CCN(CC5)[C@H]4[C@@H]3CCCO)cc2)c1)Cc1ccccc1

BIRTHDAY: 2018-12-02T16:06:11.421917
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H28N6O5

SMILES: Cc1[nH]c2c(NCc3ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc3)c(C(N)=O)cnc2c1C(N)=O

BIRTHDAY: 2018-12-02T16:06:11.433128
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C18H19F3N2O

SMILES: N[C@H](Cc1cccc(F)c1F)C(=O)N1CCC[C@H]2C=CC=C[C@]21F

BIRTHDAY: 2018-12-02T16:06:11.441422
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C27H24N6O2

SMILES: COc1ccc(C(=O)Nc2cccc(-c3nnc4n3[C@H]3N=CC=C[C@]35C=CC=C[C@H]5NC4)c2)cc1

BIRTHDAY: 2018-12-02T16:06:11.471933
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C25H23N5O3

SMILES: N[C@@H](COc1ccnc(-c2ccccc2N2C(=O)C(=O)[C@H]3C=CC=C[C@H]32)c1)Cc1c[nH]cn1

BIRTHDAY: 2018-12-02T16:06:11.482934
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C21H21ClFN5O2

SMILES: N[C@@H](Cc1ccccc1F)C(=O)N1CCC(c2nc(-c3ncccc3Cl)no2)CC1

BIRTHDAY: 2018-12-02T16:06:11.492842
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C21H22F3N3O2

SMILES: N[C@H](Cc1cccc(F)c1)C(=O)N1CCCC[C@H]1C(=O)Nc1cccc(F)c1F

BIRTHDAY: 2018-12-02T16:06:11.502402
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H25F3N6O3

SMILES: COc1ccc(C(F)(F)F)c(CNc2cnc(C(=O)NC(C)(C)N3CCOCC3)nc2C#N)c1

BIRTHDAY: 2018-12-02T16:06:11.513477
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C18H20F2N2O

SMILES: N[C@H](Cc1ccc(F)cc1F)C(=O)N1CC[C@H]2C=CC=C[C@H]2C1

BIRTHDAY: 2018-12-02T16:06:11.521379
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C17H23FN2O

SMILES: C[C@@H](C[C@]1(C)C2CCN1CC2)C(=O)Nc1ccc(F)cc1

BIRTHDAY: 2018-12-02T16:06:11.528847
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C21H24FN5O

SMILES: N[C@@H](Cc1cccc(F)c1)C(=O)N1CCN([C@@]23C=CC=C[C@@H]2N=CN=C3)CC1

BIRTHDAY: 2018-12-03T10:42:32.480219
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C22H20N6O3

SMILES: COc1ccccc1C(N)(N)C(=O)Nc1ccccc1-c1nc(-c2ccncc2)no1

BIRTHDAY: 2018-12-03T10:42:32.490896
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C27H35N7O2

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1CNc1c(C(N)=O)ncc2c1N[C@H](c1cc[nH]n1)C2)C(C)C

BIRTHDAY: 2018-12-03T10:42:32.501836
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C21H24N6O3Se

SMILES: CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3ccc([C@@H](N)[SeH])nc3)n2)cc1)C(N)=O

BIRTHDAY: 2018-12-03T10:42:32.512122
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H28N6O3

SMILES: CC(C)C[C@H](NC(=O)c1cccc(-c2nc(-c3ccncc3)no2)c1)C(=O)N(C)N(C)C

BIRTHDAY: 2018-12-03T10:42:32.522603
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C27H29N7O3

SMILES: COc1ccc(CNC(=O)C2(N)CCN(c3ncnc4[nH]cc(-c5cccc(C(N)=O)c5)c34)CC2)cc1

BIRTHDAY: 2018-12-03T10:42:32.534446
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H32N6O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1CNc1c(C(N)=O)ncc2c(C3(N)CCC3)c[nH]c12)C(=O)O

BIRTHDAY: 2018-12-03T10:42:32.545905
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C17H15F3N2O

SMILES: N[C@H](Cc1c(F)cccc1F)C(=O)N1CCc2cccc(F)c21

BIRTHDAY: 2018-12-03T10:42:32.554093
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis Plan
FORMULA:C29H42N8O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1[C@@]1(N)CC(C)(C)[C@@]1(N)C(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)c1ccncc1N

BIRTHDAY: 2018-12-03T10:42:32.598744
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C21H22F3N5O

SMILES: N[C@H](Cc1cccc(F)c1F)C(=O)N1CCN([C@@]23C=CC=C[C@@]2(F)C=NC=N3)CC1

BIRTHDAY: 2018-12-03T10:42:32.618402
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C25H23N5O3

SMILES: N[C@@H](COc1ccnc(-c2ccccc2N2C(=O)C(=O)[C@@H]3C=CC=C[C@@H]32)c1)Cc1ncc[nH]1

BIRTHDAY: 2018-12-03T10:42:32.629493
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C26H26FN5O4

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1CNc1cc2c(nc1C(N)=O)[nH]c1cc(F)ccc12)C(=O)O

BIRTHDAY: 2018-12-03T10:42:32.641190
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C32H33N3O3

SMILES: CC(=O)Nc1ccccc1-c1cncc(-c2ccccc2)c1OC[C@@H](Cc1ccccc1)NC(=O)C(C)C

BIRTHDAY: 2018-12-03T10:42:32.652147
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C6H11N3S

SMILES: CC(C)[C@@H](N)c1csnn1

BIRTHDAY: 2018-12-03T10:42:32.658138
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:C28H34N6O3

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1CNc1ccncc1)C(=O)N[C@H](C(N)=O)[C@H](C)c1ccncc1

BIRTHDAY: 2018-12-03T19:10:58.047930
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C25H28N4O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3ccc(C4(N)CCC4)cc3)n2)cc1)C(=O)O

BIRTHDAY: 2018-12-03T19:10:58.068828
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C18H19F3N2O

SMILES: N[C@H](Cc1cc(F)cc(F)c1)C(=O)N1CCC[C@H]2C=CC=C[C@@]21F

BIRTHDAY: 2018-12-03T19:10:58.077237
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis Plan
FORMULA:C30H34N8O4

SMILES: N[C@@]1(C(=O)N[C@@H](Cc2ccccc2-c2ccccc2[C@H]2NCCNO2)C(=O)O)CCCCN1c1ncc2cc[nH]c2n1

BIRTHDAY: 2018-12-03T19:10:58.091156
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C9H18N2O

SMILES: CC(C)C[C@@H]1CN=C[C@H](N)OC1

BIRTHDAY: 2018-12-03T19:10:58.096988
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C26H26FN5O4

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1CNc1cc(C(N)=O)nc2[nH]c3cc(F)ccc3c12)C(=O)O

BIRTHDAY: 2018-12-03T19:10:58.108454
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H26ClN5O

SMILES: CC(C)(C)c1ccccc1[C@]12CNCN[C@]1(c1cccc(Cl)c1)NN=C2C(N)=O

BIRTHDAY: 2018-12-03T19:10:58.137786
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C26H34N4O3S

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(CNc2ccc([C@]3(N)SC[C@@H]4C[C@H]3CN4)cc2)cc1)C(=O)O

BIRTHDAY: 2018-12-03T19:10:58.169796
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C25H31N5O4

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1CNc1c(C(N)=O)ncc2c(C(C)C)c[nH]c12)C(=O)O

BIRTHDAY: 2018-12-03T19:10:58.190490
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C41H47N7OS

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1CNc1ccncc1-c1nc2cc(n1)-c1cccc(c1)CNCCNCCCCS2)c1ccccc1

BIRTHDAY: 2018-12-03T19:10:58.204876
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H28N6O4

SMILES: COc1ccc(CNc2nc(C#N)ncc2C(=O)NCCCN2CCOCC2)cc1OC

BIRTHDAY: 2018-12-03T19:10:58.215538
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H23F2N5O

SMILES: N[C@@H](Cc1cccc(F)c1)C(=O)N1CCN([C@]23C=CC=C[C@]2(F)C=NC=N3)CC1

BIRTHDAY: 2018-12-03T19:10:58.225222
ATC: G03C
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ESTROGENS
Synthesis Plan
FORMULA:C19H25N3O

SMILES: CC(C)(C)c1ccccc1C(N)(N)Cc1cccc(C(N)=O)c1

BIRTHDAY: 2018-12-01T22:30:02.748013
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C21H18N4O3

SMILES: NC1(COc2ccnc(-c3cccc4[nH]c(=O)c(-c5ccoc5)nc34)c2)CC1

BIRTHDAY: 2018-12-01T22:30:02.757992
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C28H31N7O2

SMILES: NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)CCN(c2ncnc3[nH]ccc23)CC1

BIRTHDAY: 2018-12-01T22:30:02.788159
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C18H19F3N2O

SMILES: N[C@H](Cc1cccc(F)c1F)C(=O)N1CCC[C@H]2C=CC=C[C@@]21F

BIRTHDAY: 2018-12-01T22:30:02.796537
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C21H20N6O2

SMILES: COc1ccccc1CNc1c(NCc2ccccc2C#N)ncnc1C(N)=O

BIRTHDAY: 2018-12-01T22:30:02.806462
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C22H27N3O4

SMILES: CC(C)C[C@H](N)C(=O)N[C@H](Cc1ccc(-c2cccc(C(N)=O)c2)cc1)C(=O)O

BIRTHDAY: 2018-12-01T22:30:02.823863
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C11H16Se

SMILES: CC(C)(C)c1ccccc1C[SeH]

BIRTHDAY: 2018-12-01T22:30:02.839232
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C29H32N6O2

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(CNc2ccccn2)cc1)C(=O)N(C)Nc1ccnc2ccccc12

BIRTHDAY: 2018-12-01T22:30:02.850700
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C14H25FN4

SMILES: CC1(C)CNCCNCCN[C@]2(F)C=CC=C[C@@H]2N1

BIRTHDAY: 2018-12-01T22:30:02.858345
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C22H25F2N3O2

SMILES: N[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@H]1C(=O)NCc1ccc(F)cc1

BIRTHDAY: 2018-12-01T22:30:02.874540
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C23H32N6O3

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

BIRTHDAY: 2018-12-01T22:30:02.885403
ATC: J04B
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF LEPRA
Synthesis Plan
FORMULA:C34H43N5O

SMILES: CC(C)(C)c1cccc(C(N)(N)Cc2cccc(C(=O)Nc3cccc4c3NCCC=CC=CCCNC4)c2)c1

BIRTHDAY: 2018-12-01T22:30:02.896369
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C29H30ClN3O3S

SMILES: CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@H](CCCC(N)=O)C(=O)N(c2ccc(Cl)cc2)S3)cc1

BIRTHDAY: 2018-12-01T22:30:02.906990
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan