matter.farm

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

These compounds may interact with:

Neuronal acetylcholine receptor subunit alpha-3

Potentially involved in: lung cancer; adenocarcinoma; substance-related disorder; carcinoma; chronic obstructive pulmonary disease; nicotine dependence; frontal lobe epilepsy; cocaine dependence; alcohol dependence; alcoholic intoxication, chronic; lung neoplasms; schizophrenia; seizures; tobacco use disorder; tobacco addiction, susceptibility to (finding); astrocytoma, pilocytic; colon cancer; ependymoma; glioblastoma; group 3 medulloblastoma

Disease data sourced from Pharos.

Allosteric Modulator

FORMULA:C27H38N4OS

SMILES: C[C@@H](C(C)(C)N[C@@]12C=CC=C[C@@H]1C=CC=N2)[C@@]12C=CC=C[C@]1(C)C[S@+]([O-])[C@@]1(CCNC1)CN2

BIRTHDAY: 2018-12-01T14:10:14.714362
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C20H22N2O

SMILES: O=C(N[C@@H]1CC2CCN1CC2)c1ccccc1-c1ccccc1

BIRTHDAY: 2018-12-01T14:10:14.722349
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C33H61NO

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCN(C)Cc1ccc(OC)cc1

BIRTHDAY: 2018-12-01T14:10:14.730375
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C25H53N

SMILES: CCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-12-01T14:10:14.736308
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C20H22N2O

SMILES: O=C(N[C@H]1CC2CCN1CC2)c1ccccc1-c1ccccc1

BIRTHDAY: 2018-12-01T14:10:14.744063
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C22H28N4O2

SMILES: CN(C)CCCCCCCOc1ccc(C(=O)Nc2ccc(C#N)cc2)cn1

BIRTHDAY: 2018-12-01T14:10:14.752251
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C38H76O4

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC[C@H](O)CO

BIRTHDAY: 2018-12-01T14:10:14.761306
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C21H25N3O2

SMILES: COc1ccccc1C(=O)NC12CCN(CC1)[C@@](C)(c1ccccn1)C2

BIRTHDAY: 2018-12-01T14:10:14.769693
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H30ClNO2S

SMILES: CN(C)C(C)(C)C(C)(C)[C@H]1O[C@](c2ccccc2)(c2ccccc2Cl)C[S@+]1[O-]

BIRTHDAY: 2018-12-01T14:10:14.786094
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C6H8N4

SMILES: Cc1cn2[nH+]c(C)[n-]c2n1

BIRTHDAY: 2018-12-01T14:10:14.792071
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C21H26ClNO2S

SMILES: CN(C)C(C)(C)[C@@]1(C)[S@+]([O-])CO[C@]1(c1ccccc1)c1ccccc1Cl

BIRTHDAY: 2018-12-01T14:10:14.801184
ATC: D06B
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C33H68

SMILES: CCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:14.807873
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C15H33NSi

SMILES: CCCCCCC[C@H]1C[SiH2][C@H](C)C(C)(C)N1C

BIRTHDAY: 2018-12-01T14:10:14.813651
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C31H59NO3

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC1=N[C@@H](C(=O)OC)CO[C@@H]1C

BIRTHDAY: 2018-12-25T02:02:17.187080
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C21H25N3O2

SMILES: COc1ccc(C(=O)N[C@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1

BIRTHDAY: 2018-12-25T02:02:17.195739
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C44H83N5O6

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)O[C@]12CNC(=O)C(=O)NC[C@](C)(O)NCCN[C@H](CN1)C2=O

BIRTHDAY: 2018-12-25T02:02:17.210512
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis Plan
FORMULA:C21H25N3O2

SMILES: COc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1

BIRTHDAY: 2018-12-25T02:02:17.219058
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C19H29NO2S

SMILES: CN(C)CC[C@H]1C[S@@+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1

BIRTHDAY: 2018-12-25T02:02:17.226803
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C24H42O4

SMILES: CCOC(=O)[C@@H]1CCCCCCCCCCCCC(C)=C1CCCCC(=O)O

BIRTHDAY: 2018-12-25T02:02:17.234608
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:C20H22N2O

SMILES: O=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccccc2)cc1

BIRTHDAY: 2018-12-25T02:02:17.250628
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C22H29NO2S

SMILES: C[C@H]([C@@H]1[S@+]([O-])COC1(c1ccccc1)c1ccccc1)C(C)(C)N(C)C

BIRTHDAY: 2018-12-25T02:02:17.259237
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C19H39NO

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

BIRTHDAY: 2018-12-25T02:02:17.265307
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C18H24O3

SMILES: COc1ccc2c(c1)C(=O)OCCCCCCCCC=C2

BIRTHDAY: 2018-12-25T02:02:17.272212
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C13H16N2

SMILES: C1=C[C@]2(c3ccccn3)CNC[C@H](C1)C2

BIRTHDAY: 2018-12-25T02:02:17.278411
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C20H21ClN2O

SMILES: O=C(N[C@H]1CC2CCN1CC2)c1c(Cl)cccc1-c1ccccc1

BIRTHDAY: 2018-12-25T02:02:17.301975
ATC: N07X
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- OTHER NERVOUS SYSTEM DRUGS
Synthesis Plan
FORMULA:C22H29NO2S

SMILES: CN(C)CCCCC[C@H]1C[S@+]([O-])C(c2ccccc2)(c2ccccc2)O1

BIRTHDAY: 2018-12-03T02:38:21.396849
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H20ClN3O

SMILES: O=C(N[C@@H]1CN2CCC1CC2)c1ccc(-c2ccccn2)c(Cl)c1

BIRTHDAY: 2018-12-03T02:38:21.413813
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C38H76O4

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

BIRTHDAY: 2018-12-03T02:38:21.423313
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis Plan
FORMULA:C40H80O4

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

BIRTHDAY: 2018-12-03T02:38:21.433117
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C15H19N3O3

SMILES: O=C(N[C@@H]1CN2CCC1CC2)c1ccc(C[N+](=O)[O-])cc1

BIRTHDAY: 2018-12-03T02:38:21.441102
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C15H20N2O2

SMILES: COc1cccc(C(=O)N[C@H]2CC3CCN2CC3)c1

BIRTHDAY: 2018-12-03T02:38:21.448281
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C19H29NO2S

SMILES: C[C@H]([C@@H]1OC[S@+]([O-])[C@]1(c1ccccc1)C1CCCCC1)N(C)C

BIRTHDAY: 2018-12-03T02:38:21.456746
ATC: P02B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTITREMATODALS
Synthesis Plan
FORMULA:C15H25NS

SMILES: CC(C)(C)C(C)(C)C[C@@]12C=CC=C[C@H]1NC=[SH]2

BIRTHDAY: 2018-12-03T02:38:21.463061
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C23H43NO

SMILES: C[C@@H]1O[C@]2(CCCCCCCCCCCCN(C)C)C[C@@H]3CC[C@H]2[C@@H]31

BIRTHDAY: 2018-12-03T02:38:21.469900
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C40H72O

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

BIRTHDAY: 2018-12-03T02:38:21.478587
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C38H76O4

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

BIRTHDAY: 2018-12-03T02:38:21.487744
ATC: N07A
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- PARASYMPATHOMIMETICS
Synthesis Plan
FORMULA:C26H44N2O4

SMILES: CCOC(=O)C(C)(C)C(C)(C)[C@]12O[C@H]3[C@@H](C[C@H]4CCN1[C@@H]3C4)[C@]2(C)C(=O)NCC(C)(C)C

BIRTHDAY: 2018-12-03T02:38:21.498268
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C39H77NO4

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

BIRTHDAY: 2018-11-30T03:40:17.527673
ATC: C02C
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:C40H78N2O

SMILES: CC1=CC(=O)[C@@H](C)CN[C@H](C)[C@@](C)(N(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)C)[C@H](C)CC1

BIRTHDAY: 2018-11-30T03:40:17.537211
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C21H29N3O2

SMILES: CN(CCCCN1CCCC1)Cc1ccc(-c2ccc(CN=O)cc2)o1

BIRTHDAY: 2018-11-30T03:40:17.545135
ATC: C02D
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis Plan
FORMULA:C21H25N3O2

SMILES: COc1ccccc1C(=O)NC12CCN(CC1)[C@](C)(c1ccccn1)C2

BIRTHDAY: 2018-11-30T03:40:17.561969
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C40H72O

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)c1ccccc1

BIRTHDAY: 2018-11-30T03:40:17.569997
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C39H77NO3

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1C[C@@H](C)C[C@@H](C)O[C@@H](C)CCNCCC(=O)O1

BIRTHDAY: 2018-11-30T03:40:17.579504
ATC: N01B
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, LOCAL
Synthesis Plan
FORMULA:C20H22FN3O

SMILES: O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1ccncc1)c1cccc(F)c1

BIRTHDAY: 2018-11-30T03:40:17.587843
ATC: H01C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- HYPOTHALAMIC HORMONES
Synthesis Plan
FORMULA:C37H74O4

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

BIRTHDAY: 2018-11-30T03:40:17.603147
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C19H23NO2S

SMILES: C[C@@H]([C@H]1OC[S@@+]([O-])C1(c1ccccc1)c1ccccc1)N(C)C

BIRTHDAY: 2018-11-30T03:40:17.611622
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C27H44F3NO3

SMILES: CCCCCCCCCCCCCCNC(=O)c1ccc(OC)c(C(C)(C)[C@@H](O)C(F)(F)F)c1

BIRTHDAY: 2018-11-30T03:40:17.620742
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C26H55N

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-11-30T03:40:17.626726
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:C36H72O4

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

BIRTHDAY: 2018-11-30T03:40:17.635527
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C22H47N

SMILES: CCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-11-30T03:40:17.641131
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C27H57N

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-30T03:40:17.647177
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C29H50O

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@H]1O[C@H]2CC[C@@]13C=CC=C[C@@H]23

BIRTHDAY: 2018-11-30T03:40:17.654299
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C39H78O4

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

BIRTHDAY: 2018-11-19T08:14:51.299859
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C21H43N5

SMILES: CN(C)CCCCCCCCCCCCCCCCCCc1nnn[nH]1

BIRTHDAY: 2018-11-19T08:14:51.307382
ATC: J01E
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- SULFONAMIDES AND TRIMETHOPRIM
Synthesis Plan
FORMULA:C37H44N2O3

SMILES: COc1cccc(C(=O)n2c3ccc2CCCCC=CCCCCCCCCCCc2ccc(o2)C2=NC(=C3)C=C2)c1

BIRTHDAY: 2018-11-19T08:14:51.318497
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C32H33N5O4

SMILES: CN(C)CCOc1ccc(C(=O)N2c3cccc(c3)COCC=CCCOc3cc(ccn3)-c3ccnc2n3)cc1

BIRTHDAY: 2018-11-19T08:14:51.332101
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C27H27N3O2

SMILES: O=C(Nc1cccc(C(=O)N[C@@H]2CC3CCN2CC3)c1)c1cccc(-c2ccccc2)c1

BIRTHDAY: 2018-11-19T08:14:51.341534
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C32H57N3O3

SMILES: CN(C)CCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccc(C(=N)NO)cc1

BIRTHDAY: 2018-11-19T08:14:51.350875
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C26H42F3NO3

SMILES: CCCCCCCCCCCCCNC(=O)c1ccc(OC)c(C(C)(C)[C@H](O)C(F)(F)F)c1

BIRTHDAY: 2018-11-19T08:14:51.359992
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C31H57NO

SMILES: CCCCCCCCCCCCCCCCCCCCCCN(C)Cc1ccc(OC)cc1

BIRTHDAY: 2018-11-19T08:14:51.367459
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C36H64O

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)c1ccccc1

BIRTHDAY: 2018-11-19T08:14:51.375081
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C39H70O

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)(C)C(=O)c1ccccc1

BIRTHDAY: 2018-11-19T08:14:51.383072
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C21H27NO2S

SMILES: CN(C)C(C)(C)[C@@]1(C)[S@@+]([O-])COC1(c1ccccc1)c1ccccc1

BIRTHDAY: 2018-11-19T08:14:51.398032
ATC: V08D
- VARIOUS
- CONTRAST MEDIA
- ULTRASOUND CONTRAST MEDIA
Synthesis Plan
FORMULA:C24H51N

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:14:51.403866
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C47H92O10

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@@]1(C)COCCOCCOCCOCCOCCOCC(=O)OCCOCCO1

BIRTHDAY: 2018-11-19T08:14:51.417984
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C30H53N3O

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

BIRTHDAY: 2018-11-19T08:14:51.426709
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C19H29NO2S

SMILES: CN(C)CC[C@@H]1C[S@+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1

BIRTHDAY: 2018-11-19T08:14:51.442723
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C38H58FN3O

SMILES: CN(C)CCCCCCCCCCCCCCCCCCCCCCc1ccc2c(C(=O)c3ccc(F)cc3)cnn2c1

BIRTHDAY: 2018-11-19T08:14:51.452872
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H49N

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@@H]1CN1

BIRTHDAY: 2018-11-19T08:14:51.459021
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C26H29N3O3

SMILES: COc1ccc(C(=O)NCCCCCCC(=O)Nc2ccc(-c3cccnc3)cc2)cc1

BIRTHDAY: 2018-11-19T08:14:51.468109
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:C26H43NO6

SMILES: CCCCCCCCCCCCC[C@H]1C(=O)O[C@H](C(=O)OC)O[C@@]23CC[C@H]4O[C@@H](CN2)[C@H]3[C@H]41

BIRTHDAY: 2018-11-19T08:14:51.478008
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C22H24F3N3O2

SMILES: C[C@@H](NC(=O)c1ccccc1C(=O)Nc1ccccc1C(F)(F)F)C1CCNCC1

BIRTHDAY: 2018-11-19T08:14:51.488126
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:C38H68O

SMILES: CCC[C@@H](C)[C@@H](C)[C@@H](C)[C@@H](C)[C@@H](C)CCCCCCCCCCCCCCCCCCC(=O)c1ccccc1

BIRTHDAY: 2018-11-19T08:14:51.496577
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C35H65NO

SMILES: CCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)Cc1ccccc1OC

BIRTHDAY: 2018-11-19T08:14:51.504730
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C21H37N3

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C1=CCCC=C(N)C=NC=N1

BIRTHDAY: 2018-11-19T08:14:51.511522
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C29H61N

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-11-19T08:14:51.525241
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:C18H17F5N2O

SMILES: N[C@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1F

BIRTHDAY: 2018-11-19T08:14:51.534095
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C35H66N2O

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

BIRTHDAY: 2018-11-19T08:14:51.550446
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis Plan
FORMULA:C30H37N3O2

SMILES: CCC(C)(C)NC(=O)[C@H](Cc1ccccc1-c1ccccc1)NC(=O)C[C@H](N)Cc1ccccc1

BIRTHDAY: 2018-11-19T08:14:51.560403
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C42H76O

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)c1ccccc1

BIRTHDAY: 2018-11-19T08:14:51.568851
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C30H62

SMILES: CCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:14:51.574872
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C39H76O4

SMILES: CCOC(=O)C(C)(C)OC(=O)CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:14:51.584223
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C9H20BN3O5

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

BIRTHDAY: 2018-11-19T08:14:51.592702
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C38H76O4

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC[C@@H](O)CO

BIRTHDAY: 2018-11-19T08:14:51.601871
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C23H30FNO2S

SMILES: CN(C)C(C)(C)C(C)(C)[C@H]1CO[C@@](c2ccccc2)(c2ccccc2F)[S@+]1[O-]

BIRTHDAY: 2018-11-19T08:14:51.610574
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C29H51N3O3

SMILES: C[C@H](N(C)C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@@H](C)OC(=O)c1ccccc1C(=N)NO

BIRTHDAY: 2018-11-19T08:14:51.627518
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C21H25N3O2

SMILES: COc1cccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)c1

BIRTHDAY: 2018-11-19T08:14:51.636091
ATC: H01C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- HYPOTHALAMIC HORMONES
Synthesis Plan
FORMULA:C20H22N2O

SMILES: O=C(NC12CCN(CC1)CC2)c1ccc(-c2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:14:51.643331
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C19H27ClN4O2

SMILES: CN(C)CC[C@H]1CNC2=C(CCN(C)C(=O)N2c2ccc(Cl)cc2)CO1

BIRTHDAY: 2018-11-19T08:14:51.652369
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C15H28S3

SMILES: CC1=C([C@@H](C)C(C)(C)C(C)(C)C(C)(C)C)SSS1

BIRTHDAY: 2018-11-19T08:14:51.658742
ATC: D04A
- DERMATOLOGICALS
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
Synthesis Plan
FORMULA:C23H30FNO2S

SMILES: CN(C)CCCCCC[C@@H]1C[S@@+]([O-])[C@](c2ccccc2)(c2ccc(F)cc2)O1

BIRTHDAY: 2018-11-19T08:14:51.676782
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C27H52NO4P

SMILES: CCCCCCCCCCCCCCCC[C@@H]1C[C@H]2C=CC[C@H](C1)[C@H]2[C@@H](N)COP(=O)(O)O

BIRTHDAY: 2018-11-19T08:14:51.686441
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C31H52N2

SMILES: CCCCCCCCCCCCCCCCCCCCCCc1cc(-c2ccccc2)[nH]n1

BIRTHDAY: 2018-11-19T08:14:51.693911
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C34H64N2O3

SMILES: C[C@H](C(=O)NC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)C1=C(O)C(=O)N[C@@]1(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:14:51.729466
ATC: A05B
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:C29H43NO2

SMILES: COc1cccc(C(=O)NC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)c2ccccc2)c1

BIRTHDAY: 2018-11-19T08:14:51.745824
ATC: H02A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
Synthesis Plan
FORMULA:C19H23NO2S

SMILES: CN(C)CC[C@@H]1C[S@+]([O-])C(c2ccccc2)(c2ccccc2)O1

BIRTHDAY: 2018-11-19T08:14:51.753588
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H35N3O

SMILES: C[C@@H]1[C@@H](c2ccccn2)NC(=O)C12CCN(CC1CCCCCCC1)CC2

BIRTHDAY: 2018-11-19T08:14:51.761614
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C23H26N4O2

SMILES: O=C(N[C@@H]1CN2CCC1CC2)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1

BIRTHDAY: 2018-11-19T08:14:51.770696
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C26H35NO4

SMILES: CCCCCCCCCCCNC(=O)c1ccc(-c2ccc(C(=O)O)cc2)c(OC)c1

BIRTHDAY: 2018-11-19T08:14:51.779041
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C14H18ClN3O

SMILES: O=C(Nc1ccc(Cl)cc1)N[C@@H]1CN2CCC1CC2

BIRTHDAY: 2018-11-19T08:14:51.786486
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C34H70

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:14:51.793010
ATC: L02A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONES AND RELATED AGENTS
Synthesis Plan
FORMULA:C30H51NO

SMILES: C[C@H]([C@@H]1CCCCc2cccc(c2)CCNCC1=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:14:51.800955
ATC: S01H
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- LOCAL ANESTHETICS
Synthesis Plan
FORMULA:C27H27N3O2

SMILES: O=C(Nc1ccc(C(=O)N[C@@H]2CN3CCC2CC3)cc1)c1ccc(-c2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:14:51.818356
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C20H22N2O

SMILES: O=C(N[C@H]1CC2CCN1CC2)c1cccc(-c2ccccc2)c1

BIRTHDAY: 2018-11-19T08:14:51.826038
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C36H70N2O

SMILES: CC(=O)N1C[C@@H]2CN[C@@H]1[C@@]2(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:14:51.835055
ATC: P03A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis Plan
FORMULA:C32H66

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:14:51.841217
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C23H34N2O7

SMILES: COC(=O)[C@@H]1C=N[C@]2(N1)OCCOCCOCCOCCO[C@@H]2C(C)(C)c1ccccc1

BIRTHDAY: 2018-11-19T08:14:51.852307
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C18H17F5N2O

SMILES: N[C@@H](CC(=O)NCc1ccccc1C(F)(F)F)Cc1cccc(F)c1F

BIRTHDAY: 2018-11-19T08:14:51.861314
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C15H20N2O2

SMILES: COc1ccc(C(=O)N[C@H]2CC3CCN2CC3)cc1

BIRTHDAY: 2018-11-19T08:14:51.868414
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C36H46N2O3

SMILES: CCCCCCCCCCC[C@@H]1COC(=O)Nc2cccc(c2)C(=O)N(c2cccc(C)c2)CCc2ccc1cc2

BIRTHDAY: 2018-11-30T17:22:39.072548
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C14H26N2O2S2

SMILES: CN(C)C(C)(C)[C@@]1(C)OC[C@@]2(SC[C@H]3CN[C@H]2C3)[S@+]1[O-]

BIRTHDAY: 2018-11-30T17:22:39.080739
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C19H29NO2S

SMILES: CN(C)CC[C@H]1C[S@@+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1

BIRTHDAY: 2018-11-30T17:22:39.088336
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C33H59N3O3

SMILES: C[C@@H](OC(=O)c1ccccc1C(=N)NO)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-11-30T17:22:39.105452
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:C21H27NO2S

SMILES: CN(C)C(C)(C)[C@]1(C)COC(c2ccccc2)(c2ccccc2)[S@@+]1[O-]

BIRTHDAY: 2018-11-30T17:22:39.121839
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C19H23NO2S

SMILES: C[C@H]([C@H]1[S@@+]([O-])COC1(c1ccccc1)c1ccccc1)N(C)C

BIRTHDAY: 2018-11-30T17:22:39.130325
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C50H87NO2

SMILES: C[C@@H](OC(=O)[C@H](C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)c1ccccc1)C1=CCCNCCC=CC1

BIRTHDAY: 2018-11-30T17:22:39.141371
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C32H57N3O2

SMILES: CN(C)CCCCCCCCCCCCCCCCCCCCOC(=O)c1ccc(C(=N)N(C)C)cc1

BIRTHDAY: 2018-11-30T17:22:39.149899
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C29H26N4O6

SMILES: COc1cccc(C(=O)N2c3cccc(c3)COCC=CCOCc3coc(c3)-c3ccnc2n3)c1C(N)=O

BIRTHDAY: 2018-11-30T17:22:39.163151
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C27H35NO3

SMILES: COc1ccccc1C(=O)NCCCCCCC[C@@H]1C2CC(C2)[C@@H]1c1ccc(O)cc1

BIRTHDAY: 2018-11-30T17:22:39.171522
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C23H33N3O3

SMILES: COc1ccccc1C(=O)NC12CCN(CC1)[C@H]([C@@H]1CCCNCC(=O)CC1)C2

BIRTHDAY: 2018-11-30T17:22:39.180257
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C15H17N3O2

SMILES: N[C@]1(c2cocc2-c2ccccc2CN=O)CCCN1

BIRTHDAY: 2018-12-02T16:05:47.662564
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C27H28N4O2

SMILES: O=C(Nc1cccc(C(=O)N[C@@H]2CC3CCN2CC3)c1)c1cccc(Nc2ccccc2)c1

BIRTHDAY: 2018-12-02T16:05:47.672305
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C27H27N3O2

SMILES: O=C(Nc1ccccc1C(=O)N[C@H]1CN2CCC1CC2)c1ccc(-c2ccccc2)cc1

BIRTHDAY: 2018-12-02T16:05:47.681902
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C19H38O2S

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@@H]1CCS1(=O)=O

BIRTHDAY: 2018-12-02T16:05:47.688557
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C24H34N4

SMILES: CCCCCCCCCCCCCC1=CC(c2ccc(C#N)cc2)=NC=NN1

BIRTHDAY: 2018-12-02T16:05:47.696258
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C30H42N4O3

SMILES: C[C@@H](N(C)C)[C@@]1(O)CNCCOCCN2C=C(C=CC3=CN(CCO1)C14C=CC=CC31C=CC=C4)CC2

BIRTHDAY: 2018-12-02T16:05:47.727773
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C26H24N6O2

SMILES: CN(C)C(=O)c1ccc(C(=O)Nc2ccc(-c3nnc4n3CCNc3ccccc3-4)cc2)cc1

BIRTHDAY: 2018-12-02T16:05:47.746530
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C39H78O4

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC[C@H](O)CO

BIRTHDAY: 2018-12-02T16:05:47.764345
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C37H74O4

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

BIRTHDAY: 2018-12-03T10:42:09.316632
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C23H30FNO2S

SMILES: CN(C)C(C)(C)C(C)(C)[C@H]1[S@@+]([O-])CO[C@@]1(c1ccccc1)c1ccccc1F

BIRTHDAY: 2018-12-03T10:42:09.340646
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C27H27N3O2

SMILES: O=C(Nc1ccc(C(=O)N[C@H]2CN3CCC2CC3)cc1)c1ccc(-c2ccccc2)cc1

BIRTHDAY: 2018-12-03T10:42:09.349699
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C32H36N8O2

SMILES: O=C1NCN(c2ccccc2C(=O)N[C@@H]2CC3CCN2CC3)CCn2cc(cn2)C2=NN(CC=C2)Cc2cccc1c2

BIRTHDAY: 2018-12-03T10:42:09.362550
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C33H59N3O3

SMILES: C[C@H](OC(=O)c1ccccc1C(=N)NO)[C@H](C)C[C@H](C)C(C)(C)C(C)(C)C(C)(C)CC(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-12-03T10:42:09.379856
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C19H29NO2S

SMILES: C[C@@H]([C@H]1OC[S@+]([O-])[C@@]1(c1ccccc1)C1CCCCC1)N(C)C

BIRTHDAY: 2018-12-03T10:42:09.388137
ATC: P02B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTITREMATODALS
Synthesis Plan
FORMULA:C33H63N3S

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCC1=NN2C[C@H](C)N=C[C@H]2SC1

BIRTHDAY: 2018-12-03T10:42:09.405026
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C20H22FN3O

SMILES: O=C(N[C@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(F)cc1

BIRTHDAY: 2018-12-03T10:42:09.413421
ATC: D05B
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C19H29NO2S

SMILES: CC1=C[C@@]2(CCCCN(C)C)OC[S@+]([O-])[C@@H]2[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]12

BIRTHDAY: 2018-12-03T19:10:34.053382
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C38H63NO2

SMILES: C[C@@H](C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)[C@]12CN3CC[C@@H]1C[C@H]3CC[C@]2(O)C(=O)c1ccccc1

BIRTHDAY: 2018-12-03T19:10:34.063615
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H29NO5

SMILES: COC(=O)c1ccc([C@@]23C=C(C)[C@H]4[C@H](C2)[C@H](CCC(C)=O)N[C@H]4[C@@H]3C(=O)OC)cc1

BIRTHDAY: 2018-12-03T19:10:34.081150
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C27H28N4O2

SMILES: O=C(Nc1cccc(C(=O)N[C@H]2CC3CCN2CC3)c1)c1cccc(Nc2ccccc2)c1

BIRTHDAY: 2018-12-03T19:10:34.091017
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C20H22N2O

SMILES: O=C(NC12CCN(CC1)CC2)c1ccccc1-c1ccccc1

BIRTHDAY: 2018-12-03T19:10:34.114214
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C33H61ClN2

SMILES: CN(Cc1ccccc1Cl)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CN

BIRTHDAY: 2018-12-03T19:10:34.131050
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C32H37N7O4

SMILES: CN(C)[C@]12CN(c3cccc4ccc(cc34)Oc3cccc(c3)CNCC(=O)CN1)[C@@]1(C(=O)N3CCOCC3)C=NN[C@@H]21

BIRTHDAY: 2018-12-03T19:10:34.145685
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C15H27NO2

SMILES: CCCCCCCCC[C@H]1CCN2C[C@@H]1OC2=O

BIRTHDAY: 2018-12-03T19:10:34.159530
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C49H66N6O6

SMILES: CCCCCCCCCCCCCNC(=O)c1ccc(OC)c(C(C)(C)[C@@H](O)C(C)(C)c2cc3cc(c2)Oc2cccc(c2)CNCCn2c(=O)c(=O)n(c4c[nH]nc42)C3)c1

BIRTHDAY: 2018-12-03T19:10:34.176270
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C26H48N2O

SMILES: CCCCCCCCCCCCCCCCCCCC1=CNC(C)=C(C)N=C1O

BIRTHDAY: 2018-12-03T19:10:34.183491
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C37H74O4

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC[C@H](O)CO

BIRTHDAY: 2018-12-01T22:29:39.255299
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C26H27N7O2

SMILES: CN(C)c1c2cccc1Oc1ccc3cccc(c3c1)N[C@H]1N=CN[C@]1(C#N)NCC(=O)CNC2

BIRTHDAY: 2018-12-01T22:29:39.266931
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C20H35N3O2

SMILES: CCOC(=O)CC[C@@H]1C[C@@]2(C)C=C(N3CCC(NC)CC3)N(C2)[C@H]1C

BIRTHDAY: 2018-12-01T22:29:39.274840
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C19H29NO2S

SMILES: C[C@H]([C@@H]1[S@@+]([O-])CO[C@]1(c1ccccc1)C1CCCCC1)N(C)C

BIRTHDAY: 2018-12-01T22:29:39.283337
ATC: B02A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- ANTIFIBRINOLYTICS
Synthesis Plan
FORMULA:C19H23NO2S

SMILES: CN(C)CC[C@@H]1C[S@@+]([O-])C(c2ccccc2)(c2ccccc2)O1

BIRTHDAY: 2018-12-01T22:29:39.291102
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C37H74O4

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

BIRTHDAY: 2018-12-01T22:29:39.300174
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C38H68O

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)c1ccccc1

BIRTHDAY: 2018-12-01T22:29:39.308071
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C42H63N3O3

SMILES: C[C@H](C1=CCOCc2cccc(c2)Nc2nccc(n2)-c2ccc(o2)CO[C@@H]1C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-01T22:29:39.325742
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H22ClN3O

SMILES: O=C(N[C@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)cc1

BIRTHDAY: 2018-12-01T22:29:39.334280
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C20H22ClN3O

SMILES: C[C@@]1(c2ccccn2)CC2(NC(=O)c3ccccc3Cl)CCN1CC2

BIRTHDAY: 2018-12-01T22:29:39.342572
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C34H64N2

SMILES: CN(CCCCCCCCCCCCCCCCCCCCCCCCCCN)Cc1ccccc1

BIRTHDAY: 2018-12-01T22:29:39.365575
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C19H29NO2S

SMILES: C[C@@H]([C@H]1OC[S@@+]([O-])[C@@]1(c1ccccc1)C1CCCCC1)N(C)C

BIRTHDAY: 2018-12-01T22:29:39.374024
ATC: P02B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTITREMATODALS
Synthesis Plan
FORMULA:C21H27NO2S

SMILES: CN(C)C(C)(C)[C@@]1(C)OC(c2ccccc2)(c2ccccc2)C[S@@+]1[O-]

BIRTHDAY: 2018-12-01T22:29:39.382482
ATC: R01B
- RESPIRATORY SYSTEM
- NASAL PREPARATIONS
- NASAL DECONGESTANTS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C35H65NO

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCN(C)Cc1ccc(OC)cc1

BIRTHDAY: 2018-12-01T22:29:39.390282
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan