matter.farm
Computer-generated molecule database for public drug discovery.
About this project.
These compounds may interact with:
Histone deacetylase
No disease data available for this receptor.
Unknown Action
FORMULA:
C9H10N4O2
SMILES:
O=C(NO)c1ncc2c(n1)NCC=CC2
BIRTHDAY:
2018-12-01T14:12:09.907511
ATC:
L04A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
IMMUNOSUPPRESSANTS
IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:
C12H9F3N4O2
SMILES:
O=C(NO)c1ncc(Nc2ccccc2C(F)(F)F)cn1
BIRTHDAY:
2018-12-01T14:12:09.916128
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C25H29N5O2
SMILES:
Cc1c2cccc1Nc1nccc(n1)N([C@@H](CC(C)C)C(=O)NO)c1cccc(c1)CC2
BIRTHDAY:
2018-12-01T14:12:09.926235
ATC:
N02A
NERVOUS SYSTEM
ANALGESICS
OPIOIDS
Synthesis Plan
FORMULA:
C11H8F2N4O2
SMILES:
O=C(NO)c1cnc(Nc2ccc(F)c(F)c2)nc1
BIRTHDAY:
2018-12-01T14:12:09.934298
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C16H15FN2O3
SMILES:
CN(Cc1ccccc1C(=O)NO)C(=O)c1cccc(F)c1
BIRTHDAY:
2018-12-01T14:12:09.942545
ATC:
H05A
SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
CALCIUM HOMEOSTASIS
PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:
C13H18N2O3
SMILES:
CC(C)(C)CC(=O)Nc1ccc(C(=O)NO)cc1
BIRTHDAY:
2018-12-01T14:12:09.949527
ATC:
L04A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
IMMUNOSUPPRESSANTS
IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:
C19H22F3N3O5
SMILES:
COc1ccc2[nH]c(C(=O)NC(C)(C)C(C)(C)C(=O)NO)c(C(=O)C(F)(F)F)c2c1
BIRTHDAY:
2018-12-01T14:12:09.959642
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C14H20N2O4
SMILES:
COc1ccccc1C(=O)NC(C)(C)[C@@H](C)C(=O)NO
BIRTHDAY:
2018-12-01T14:12:09.967248
ATC:
A07B
ALIMENTARY TRACT AND METABOLISM
ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:
C11H8F2N4O2
SMILES:
O=C(NO)c1ncc(Nc2cccc(F)c2F)cn1
BIRTHDAY:
2018-12-01T14:12:09.999009
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C13H26N2O3
SMILES:
CC(C)(C)CC(=O)NCCCCCCC(=O)NO
BIRTHDAY:
2018-12-01T14:12:10.005524
ATC:
V09X
VARIOUS
DIAGNOSTIC RADIOPHARMACEUTICALS
OTHER DIAGNOSTIC RADIOPHARMACEUTICALS
Synthesis Plan
FORMULA:
C23H19F3N4O2S
SMILES:
CC(C)(CC(=O)Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1)NC(=O)c1ccc(C#N)cc1
BIRTHDAY:
2018-12-25T02:04:10.694865
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:
C23H27N3O5S
SMILES:
CO[C@H]1CO[C@]2(c3ccccc3)C(c3nc(C(C)(C)[C@H](C)C(=O)NO)no3)=CC=C[C@H]2S1
BIRTHDAY:
2018-12-25T02:04:10.706227
ATC:
R05D
RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:
C20H37NOS2
SMILES:
CC(C)CC(=O)N[C@@H]1SCC=CC([C@H](C)C(C)C)([C@H](C)C(C)C)S1
BIRTHDAY:
2018-12-25T02:04:10.720691
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C23H22N4O4
SMILES:
CN(CC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)NO)c2)c1)c1ccccc1
BIRTHDAY:
2018-12-25T02:04:10.747087
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C15H15F3N4O4
SMILES:
CC(C)[C@H](NC(=O)c1ccccc1-c1nc(C(F)(F)F)no1)C(=O)NO
BIRTHDAY:
2018-12-25T02:04:10.757276
ATC:
A14A
ALIMENTARY TRACT AND METABOLISM
ANABOLIC AGENTS FOR SYSTEMIC USE
ANABOLIC STEROIDS
Synthesis Plan
FORMULA:
C19H21F3N6O3
SMILES:
CC(C)C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)N(C)N(C)C#N
BIRTHDAY:
2018-12-25T02:04:10.784865
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C25H28N6O4
SMILES:
CN(Cc1ccc(C(=O)NO)cc1)c1ncc2nc1OCCC=CCOc1ccccc1NCN2
BIRTHDAY:
2018-12-25T02:04:10.807263
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C34H47N3O4
SMILES:
Cc1ccccc1CNC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2c(c1)CCCCOCCC=CCCC2
BIRTHDAY:
2018-12-25T02:04:10.832042
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C11H8F2N4O2
SMILES:
O=C(NO)c1ncc(Nc2cc(F)ccc2F)cn1
BIRTHDAY:
2018-12-03T02:40:17.758022
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C11H8F2N4O2
SMILES:
O=C(NO)c1cncnc1Nc1c(F)cccc1F
BIRTHDAY:
2018-12-03T02:40:17.766699
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C17H23N3O2S
SMILES:
COc1cccc(-c2c[nH]nc2C(=O)NC(C)(C)C(C)(C)S)c1
BIRTHDAY:
2018-12-03T02:40:17.775138
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C12H9F3N4O2
SMILES:
O=C(NO)c1cncnc1Nc1ccccc1C(F)(F)F
BIRTHDAY:
2018-12-03T02:40:17.800572
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C19H21F3N6O3
SMILES:
CC(C)C[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)N(C)N(C)C#N
BIRTHDAY:
2018-12-03T02:40:17.811719
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C30H31N3O6
SMILES:
CC(C)[C@H](NC(=O)c1ccccc1-c1c2cccc1C(=O)CNCc1ccc(nc1)OCC=CCO2)C(=O)O
BIRTHDAY:
2018-12-03T02:40:17.831790
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C12H22N2O4
SMILES:
CC1(C)O[C@@H]1C(=O)NC(C)(C)C(C)(C)C(=O)NO
BIRTHDAY:
2018-12-03T02:40:17.846972
ATC:
N06D
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTI-DEMENTIA DRUGS
Synthesis Plan
FORMULA:
C21H22F3N3O4
SMILES:
CC(C)[C@@H](NC(=O)c1ccccc1C(=O)NO)C(=O)NCc1ccccc1C(F)(F)F
BIRTHDAY:
2018-12-03T02:40:17.857310
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C11H8F2N4O2
SMILES:
O=C(NO)c1cnc(Nc2cc(F)ccc2F)nc1
BIRTHDAY:
2018-12-03T02:40:17.865586
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C19H21F3N6O3
SMILES:
CC(C)C[C@H](NC(=O)c1ccccc1-c1nc(C(F)(F)F)no1)C(=O)N(C)N(C)C#N
BIRTHDAY:
2018-11-30T03:42:14.084412
ATC:
L04A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
IMMUNOSUPPRESSANTS
IMMUNOSUPPRESSANTS
Synthesis plan pending
FORMULA:
C13H18N2O3
SMILES:
CC(C)(C)CC(=O)Nc1ccccc1C(=O)NO
BIRTHDAY:
2018-11-30T03:42:14.107966
ATC:
C02K
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
OTHER ANTIHYPERTENSIVES
Synthesis plan pending
FORMULA:
C17H24N2O4
SMILES:
O=C(CCCCCNC(=O)c1ccc(OCC2CC2)cc1)NO
BIRTHDAY:
2018-11-30T03:42:14.131273
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:
C13H18N2O3
SMILES:
CC(C)(C)CC(=O)Nc1cccc(C(=O)NO)c1
BIRTHDAY:
2018-11-30T03:42:14.146198
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C17H23N3O2S
SMILES:
COc1ccccc1-c1cn[nH]c1C(=O)NCC(C)(C)[C@H](C)S
BIRTHDAY:
2018-11-30T03:42:14.154360
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C14H20N2O4
SMILES:
COc1ccccc1C(=O)NC(C)(C)[C@H](C)C(=O)NO
BIRTHDAY:
2018-11-30T03:42:14.176505
ATC:
A07B
ALIMENTARY TRACT AND METABOLISM
ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
INTESTINAL ADSORBENTS
Synthesis plan pending
FORMULA:
C21H19F3N4O2S
SMILES:
CN(C)CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1
BIRTHDAY:
2018-11-19T08:11:22.264403
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:
C11H8F2N4O2
SMILES:
O=C(NO)c1nccc(Nc2c(F)cccc2F)n1
BIRTHDAY:
2018-11-19T08:11:22.287095
ATC:
G01A
GENITO URINARY SYSTEM AND SEX HORMONES
GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis plan pending
FORMULA:
C21H27N7O6
SMILES:
CC(C)C[C@@H](NC(=O)c1ccc(-c2noc([C@H]3NCNC(=O)N3)n2)cc1)C(=O)NCCC(=O)O
BIRTHDAY:
2018-11-19T08:11:22.298617
ATC:
A03F
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
PROPULSIVES
Synthesis plan pending
FORMULA:
C15H18N4O4S
SMILES:
CC(C)CC(=O)N1C=CC(C(=O)NCc2ccncc2)=NS1(=O)=O
BIRTHDAY:
2018-11-19T08:11:22.316325
ATC:
N07X
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
OTHER NERVOUS SYSTEM DRUGS
Synthesis plan pending
FORMULA:
C34H35N7O5
SMILES:
COc1ccc(C(=O)N2Cc3cccc(c3)Nc3nccc(n3)-c3cccc(c3)NCCC=C[C@H]2C(=O)NCCC(=O)NO)cc1
BIRTHDAY:
2018-11-19T08:11:22.332726
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C21H25N3O4
SMILES:
CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)NO)C(=O)NCc1ccccc1
BIRTHDAY:
2018-11-19T08:11:22.342299
ATC:
C09C
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis plan pending
FORMULA:
C18H21F3N4O3
SMILES:
CC(C)C[C@H](NC(=O)c1cccc(-c2nc(C(F)(F)F)no2)c1)C(=O)N(C)C
BIRTHDAY:
2018-11-19T08:11:22.352283
ATC:
N07C
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
ANTIVERTIGO PREPARATIONS
Synthesis plan pending
FORMULA:
C18H15FN4O2
SMILES:
O=C(NO)c1nccc(N(Cc2ccccc2)c2ccccc2F)n1
BIRTHDAY:
2018-11-19T08:11:22.372152
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C13H26N2O3
SMILES:
CC(C)(C)CC(=O)NC(C)(C)C(C)(C)C(=O)NO
BIRTHDAY:
2018-11-19T08:11:22.378826
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:
C25H50N2O3
SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)NO
BIRTHDAY:
2018-11-19T08:11:22.386437
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:
C25H43N5O5
SMILES:
CC(C)[C@@]1(C(C)(C)C(C)(C)C(C)(C)C(=O)NO)CCOC(=O)CNCNc2cncc(n2)OCC1
BIRTHDAY:
2018-11-19T08:11:22.399650
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:
C22H26FN3O4
SMILES:
CC(C)C[C@@H](NC(=O)c1ccc(C(=O)NO)cc1)C(=O)NCCc1ccc(F)cc1
BIRTHDAY:
2018-11-19T08:11:22.409655
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:
C19H25F6N3O5S
SMILES:
CC(C)C[C@@H](C(=O)NCC(F)(F)F)N1[C@@H](C(=O)NO)CC[SH]1(=O)c1ccc(OC(F)(F)F)cc1
BIRTHDAY:
2018-11-19T08:11:22.424424
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis plan pending
FORMULA:
C19H21F3N6O3
SMILES:
CC(C)C[C@@H](NC(=O)c1ccccc1-c1nc(C(F)(F)F)no1)C(=O)N(C)N(C)C#N
BIRTHDAY:
2018-11-19T08:11:22.436498
ATC:
L04A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
IMMUNOSUPPRESSANTS
IMMUNOSUPPRESSANTS
Synthesis plan pending
FORMULA:
C35H51F2N3
SMILES:
CC(C)C[C@@H](N[C@@]1(CNC(C)(C)C(C)C)CC[C@@H]2C[C@H]3CCN2C[C@H]31)C(c1ccccc1F)c1ccccc1F
BIRTHDAY:
2018-11-19T08:11:22.450100
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:
C21H19F3N4O2S
SMILES:
CN(C)CC(=O)Nc1cccc(C(=O)Nc2scnc2-c2ccccc2C(F)(F)F)c1
BIRTHDAY:
2018-11-19T08:11:22.460402
ATC:
N05B
NERVOUS SYSTEM
PSYCHOLEPTICS
ANXIOLYTICS
Synthesis plan pending
FORMULA:
C22H26FN3O4
SMILES:
CC(C)C[C@H](NC(=O)c1ccc(C(=O)NO)cc1)C(=O)NCCc1ccc(F)cc1
BIRTHDAY:
2018-11-19T08:11:22.469880
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:
C12H16N2O3
SMILES:
CC(C)CC(=O)Nc1ccc(C(=O)NO)cc1
BIRTHDAY:
2018-11-19T08:11:22.476577
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C24H39N3O4
SMILES:
CC(C)(C)C(=O)N1CCC2(CC1)CN1[C@H]3C[C@@]2(C(=O)NO)C[C@H]2[C@H]3O[C@H]1[C@H]2C(C)(C)C
BIRTHDAY:
2018-11-19T08:11:22.486243
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C19H25N3O4
SMILES:
O=C(NO)c1ncc2c(n1)C=CCC[C@@H]1CCO[C@@H](CC[C@H](O)C=C2)C1
BIRTHDAY:
2018-11-19T08:11:22.495132
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C20H16FN3O3
SMILES:
O=C(NO)c1ccc(CN(C(=O)c2ccc(F)cc2)c2cccnc2)cc1
BIRTHDAY:
2018-11-19T08:11:22.004159
ATC:
P01A
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Synthesis plan pending
FORMULA:
C16H15FN2O3
SMILES:
CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1ccc(F)cc1
BIRTHDAY:
2018-11-19T08:11:22.023747
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:
C21H25N3O4
SMILES:
CC(C)C[C@H](NC(=O)c1ccccc1C(=O)NO)C(=O)NCc1ccccc1
BIRTHDAY:
2018-11-19T08:11:22.035250
ATC:
C09C
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis plan pending
FORMULA:
C19H27NO4S
SMILES:
CC(C)C[C@@]1(C(=O)NO)CC(=O)SCCCCCOc2ccccc21
BIRTHDAY:
2018-11-19T08:11:22.053384
ATC:
L02B
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ENDOCRINE THERAPY
HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis plan pending
FORMULA:
C17H23N3O2S
SMILES:
COc1ccccc1-c1c[nH]nc1C(=O)NC(C)(C)C(C)(C)S
BIRTHDAY:
2018-11-19T08:11:22.082291
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:
C15H17N3O2S
SMILES:
CC(C)CC(=O)Nc1cccc(C(=O)Nc2cncs2)c1
BIRTHDAY:
2018-11-19T08:11:22.090012
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C21H22N4O4
SMILES:
CC(C)C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1)C(=O)NO
BIRTHDAY:
2018-11-19T08:11:22.107377
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 pending
FORMULA:
C11H8F2N4O2
SMILES:
O=C(NO)c1ccnc(Nc2cc(F)ccc2F)n1
BIRTHDAY:
2018-11-19T08:11:22.115852
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C26H31N5O3
SMILES:
CN(CCCCCCCC(=O)NO)C(=O)c1ccc(N(c2ccccc2)c2ncccn2)cc1
BIRTHDAY:
2018-11-19T08:11:22.134083
ATC:
G02C
GENITO URINARY SYSTEM AND SEX HORMONES
OTHER GYNECOLOGICALS
OTHER GYNECOLOGICALS
Synthesis plan pending
FORMULA:
C29H42F3N5O3
SMILES:
CC(C)C[C@H](NC(=O)c1ccccc1-c1nc(C(F)(F)F)no1)[C@H]1CCCCCNCCNCC(=O)CCCC1
BIRTHDAY:
2018-11-19T08:11:22.161825
ATC:
M03A
MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANTS
MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis plan pending
FORMULA:
C22H26FN3O4
SMILES:
CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)NO)C(=O)N[C@@H](C)c1cccc(F)c1
BIRTHDAY:
2018-11-19T08:11:22.181713
ATC:
G04B
GENITO URINARY SYSTEM AND SEX HORMONES
UROLOGICALS
UROLOGICALS
Synthesis plan pending
FORMULA:
C12H16N2O3
SMILES:
CC(C)CC(=O)Nc1ccccc1C(=O)NO
BIRTHDAY:
2018-11-19T08:11:22.188852
ATC:
V09C
VARIOUS
DIAGNOSTIC RADIOPHARMACEUTICALS
RENAL SYSTEM
Synthesis plan pending
FORMULA:
C10H14FN3O3S
SMILES:
N[C@@]1(c2cccc(F)c2)CC[C@H](NO)S(=O)(=O)N1
BIRTHDAY:
2018-11-19T08:11:22.197116
ATC:
L01D
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis plan pending
FORMULA:
C23H19F3N4O2S
SMILES:
CC(C)(CC(=O)Nc1scnc1-c1ccccc1C(F)(F)F)NC(=O)c1cccc(C#N)c1
BIRTHDAY:
2018-11-19T08:11:22.207567
ATC:
P03B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
INSECTICIDES AND REPELLENTS
Synthesis plan pending
FORMULA:
C25H27N5O3
SMILES:
C[C@H](C(=O)N1CCCC[C@]1(Nc1ccnc(C(=O)NO)n1)c1ccccc1)c1ccccc1
BIRTHDAY:
2018-11-19T08:11:22.219267
ATC:
A07A
ALIMENTARY TRACT AND METABOLISM
ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
INTESTINAL ANTIINFECTIVES
Synthesis plan pending
FORMULA:
C19H21F3N6O3
SMILES:
CC(C)C[C@H](NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)C(=O)N(C)N(C)C#N
BIRTHDAY:
2018-11-19T08:11:22.230483
ATC:
P01B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
ANTIMALARIALS
Synthesis plan pending
FORMULA:
C16H16N2O4
SMILES:
O=C(CNC(=O)c1ccccc1OCc1ccccc1)NO
BIRTHDAY:
2018-11-30T17:24:33.962450
ATC:
R03B
RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
Synthesis Plan
FORMULA:
C11H8F2N4O2
SMILES:
O=C(NO)c1ncc(Nc2c(F)cccc2F)cn1
BIRTHDAY:
2018-11-30T17:24:33.996221
ATC:
A07B
ALIMENTARY TRACT AND METABOLISM
ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:
C44H68N10O5
SMILES:
CC(C)[C@H](O)C[C@H](C)C(=O)NCNCC[C@H](C)N(C)CN1C=CN(C(C)(C)CC(=O)Nc2cccc(-c3c4nnn3CCCCOc3cccc(c3)CNCC4)c2)CO1
BIRTHDAY:
2018-11-30T17:24:34.049068
ATC:
H01B
SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:
C22H26FN3O4
SMILES:
CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)NO)C(=O)N[C@H](C)c1ccc(F)cc1
BIRTHDAY:
2018-11-30T17:24:34.058999
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:
C30H34ClN5O3
SMILES:
O=C(NO)c1ncncc1Nc1cc2c(c3c1N1CCC(CC1)[C@H]3c1ccccc1Cl)CCCOCCCC2
BIRTHDAY:
2018-11-30T17:24:34.086244
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H22F3N3O4
SMILES:
CC(C)C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1)C(=O)NO
BIRTHDAY:
2018-11-30T17:24:34.096227
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:
C19H21N5O4
SMILES:
CNC(=O)CCn1nc(-c2cccc(OC)c2)cc1C(=O)NC1=NC=COC1
BIRTHDAY:
2018-12-02T16:07:43.164495
ATC:
C02D
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis Plan
FORMULA:
C16H17F3N4O4
SMILES:
CC(C)C[C@H](NC(=O)c1cccc(-c2nc(C(F)(F)F)no2)c1)C(=O)NO
BIRTHDAY:
2018-12-02T16:07:43.174477
ATC:
A16A
ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:
C35H39N5O5
SMILES:
CC(C)[C@@H](NC(=O)c1cccc(C(=O)NO)c1)C(=O)N[C@H]1CC=CCCCc2ccc(o2)C2=NC(=Cc3ccc([nH]3)CC1)C=C2
BIRTHDAY:
2018-12-02T16:07:43.187503
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C20H16FN3O3
SMILES:
O=C(NO)c1ccccc1CN(C(=O)c1cccc(F)c1)c1ccccn1
BIRTHDAY:
2018-12-02T16:07:43.196711
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C19H21F3N6O3
SMILES:
CC(C)C[C@H](NC(=O)c1cccc(-c2nc(C(F)(F)F)no2)c1)C(=O)N(C)N(C)C#N
BIRTHDAY:
2018-12-02T16:07:43.207902
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:
C19H21F3N6O3
SMILES:
CC(C)C[C@@H](NC(=O)c1cccc(-c2nc(C(F)(F)F)no2)c1)C(=O)N(C)N(C)C#N
BIRTHDAY:
2018-12-02T16:07:43.227228
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:
C17H21N3O4
SMILES:
CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)NO)C1=CC=NOC1
BIRTHDAY:
2018-12-02T16:07:43.252779
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:
C20H23N3O4
SMILES:
CC(C)[C@@H](NC(=O)c1ccccc1C(=O)NO)C(=O)NCc1ccccc1
BIRTHDAY:
2018-12-02T16:07:43.287027
ATC:
R05D
RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:
C20H23N3O4
SMILES:
CC(C)[C@H](NC(=O)c1ccccc1C(=O)NO)C(=O)NCc1ccccc1
BIRTHDAY:
2018-12-02T16:07:43.304565
ATC:
R05D
RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:
C19H29BN2O2
SMILES:
COc1ccc(C(=O)NCCCCCC2=C(C)C[C@H](C)NB2)cc1
BIRTHDAY:
2018-12-03T10:44:04.331231
ATC:
G03B
GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
ANDROGENS
Synthesis Plan
FORMULA:
C23H25N5O3S
SMILES:
CN(C)CC(=O)Nc1ccc(C(=O)Nc2ncc(C(=O)NCCc3ccccc3)s2)cc1
BIRTHDAY:
2018-12-03T10:44:04.341252
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C23H35N3O4
SMILES:
CC(=O)N1c2cccc(C(=O)N[C@H](CC(C)C)C(=O)NO)c2C[C@H](C)CCC1(C)C
BIRTHDAY:
2018-12-03T10:44:04.350552
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C23H19F6N3O2S
SMILES:
CC(C)(CC(=O)Nc1ncsc1-c1ccccc1C(F)(F)F)NC(=O)c1cccc(C(F)(F)F)c1
BIRTHDAY:
2018-12-03T10:44:04.378133
ATC:
B01A
BLOOD AND BLOOD FORMING ORGANS
ANTITHROMBOTIC AGENTS
ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:
C11H8F2N4O2
SMILES:
O=C(NO)c1cncnc1Nc1ccc(F)c(F)c1
BIRTHDAY:
2018-12-03T10:44:04.395147
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C14H23N7O3
SMILES:
O=C1CNCCNCCCN(c2ccnc(C(=O)NO)n2)CCN1
BIRTHDAY:
2018-12-03T10:44:04.427632
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C10H8N4O2S
SMILES:
O=C(NO)C1=NSC2=NCc3ccccc3N21
BIRTHDAY:
2018-12-03T19:12:30.112388
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C12H9F3N4O2
SMILES:
O=C(NO)c1cncnc1Nc1cccc(C(F)(F)F)c1
BIRTHDAY:
2018-12-03T19:12:30.137925
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C28H33N5O3
SMILES:
CC1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2ccnc(c2)OCC1
BIRTHDAY:
2018-12-03T19:12:30.163419
ATC:
D10A
DERMATOLOGICALS
ANTI-ACNE PREPARATIONS
ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C33H39N5O2
SMILES:
COc1ccc(C(=O)NCCCCC[C@@H]2NCc3cccc(c3)CN3CC=CC(=N3)c3cccc(c3)CN2)cc1
BIRTHDAY:
2018-12-03T19:12:30.189692
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C16H17F3N4O4
SMILES:
CC(C)C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)NO
BIRTHDAY:
2018-12-03T19:12:30.199652
ATC:
A08A
ALIMENTARY TRACT AND METABOLISM
ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:
C16H15FN2O3
SMILES:
CN(Cc1ccccc1C(=O)NO)C(=O)c1ccccc1F
BIRTHDAY:
2018-12-03T19:12:30.216117
ATC:
A08A
ALIMENTARY TRACT AND METABOLISM
ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:
C23H19F6N3O2S
SMILES:
CC(C)(CC(=O)Nc1scnc1-c1ccccc1C(F)(F)F)NC(=O)c1cccc(C(F)(F)F)c1
BIRTHDAY:
2018-12-03T19:12:30.245528
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C16H21N3O
SMILES:
N#Cc1ccccc1[C@]1(NO)CC[C@H]2CCCC[C@@H]1N2
BIRTHDAY:
2018-12-01T22:31:35.637557
ATC:
C01B
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:
C24H37ClN6O5
SMILES:
CC(C)[C@H](C)NC(=O)[C@]1(C(=O)NO)CN[C@](CNC(=O)c2cccc(Cl)c2)(C(C)C)[C@H](N)NCC1=O
BIRTHDAY:
2018-12-01T22:31:35.661561
ATC:
G04B
GENITO URINARY SYSTEM AND SEX HORMONES
UROLOGICALS
UROLOGICALS
Synthesis Plan
FORMULA:
C23H19F6N3O2S
SMILES:
CC(C)(CC(=O)Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1)NC(=O)c1ccccc1C(F)(F)F
BIRTHDAY:
2018-12-01T22:31:35.689702
ATC:
C02D
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis Plan
FORMULA:
C13H14N4O2
SMILES:
CN(Cc1ccccc1)c1cncnc1C(=O)NO
BIRTHDAY:
2018-12-01T22:31:35.742521
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C16H17F3N4O4
SMILES:
CC(C)C[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)NO
BIRTHDAY:
2018-12-01T22:31:35.752335
ATC:
A08A
ALIMENTARY TRACT AND METABOLISM
ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:
C19H30N2O2
SMILES:
CC(C)CC(=O)NCCCCCCC(=O)N1C=CC=CC=CC1
BIRTHDAY:
2018-12-01T22:31:35.759227
ATC:
N02A
NERVOUS SYSTEM
ANALGESICS
OPIOIDS
Synthesis Plan
FORMULA:
C15H15F3N4O4
SMILES:
CC(C)[C@H](NC(=O)c1ccccc1-c1noc(C(F)(F)F)n1)C(=O)NO
BIRTHDAY:
2018-12-01T22:31:35.769828
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C36H33N7O5S
SMILES:
O=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=O)c3nc4cc(n3)-c3cccc(c3)OCCCOc3cccc(c3)S4)CC2)nc1
BIRTHDAY:
2018-12-01T22:31:35.784642
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C13H14N4O2
SMILES:
CN(Cc1ccccc1)c1ncc(C(=O)NO)cn1
BIRTHDAY:
2018-12-01T22:31:35.792456
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:
C21H22N4O4
SMILES:
CC(C)C[C@@H](NC(=O)c1cccc(NC(=O)c2ccccc2C#N)c1)C(=O)NO
BIRTHDAY:
2018-12-01T22:31:35.801880
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
