matter.farm
Computer-generated molecule database for public drug discovery.
About this project.
These compounds may interact with:
Q4U254
No disease data available for this receptor.
Unknown Action
FORMULA:
C22H24N4O5
SMILES:
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(N)=O
BIRTHDAY:
2018-12-01T14:10:22.295616
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C21H27FN2O5
SMILES:
C[C@H](NC(=O)C(C)(C)Oc1ccc(F)cc1)C(=O)N1CCC2(CCC(=O)O2)CC1
BIRTHDAY:
2018-12-01T14:10:22.305536
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C23H31F3N4O2
SMILES:
CN(C)CC(=O)N1CCC(c2ccc(NC(=O)[C@H](C#N)C(C)(C)C)cc2C(F)(F)F)CC1
BIRTHDAY:
2018-12-01T14:10:22.315361
ATC:
N05B
NERVOUS SYSTEM
PSYCHOLEPTICS
ANXIOLYTICS
Synthesis Plan
FORMULA:
C20H21F3N6O4
SMILES:
O=C(NC[C@@H]1CN=C2Oc3cncc(c3)CCCNCCC2=C(C(F)(F)F)O1)c1ncon1
BIRTHDAY:
2018-12-01T14:10:22.327396
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C34H42N6O5S2
SMILES:
COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NC[C@H]2NCCCOCCNC[C@@H]3CSC(=N3)c3csc2n3)cc1
BIRTHDAY:
2018-12-01T14:10:22.352085
ATC:
A07B
ALIMENTARY TRACT AND METABOLISM
ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:
C18H27N2O2P
SMILES:
COC1=C(c2cccc(C(C)=O)c2C(C)(C)C)C(C)(C)NPN1
BIRTHDAY:
2018-12-01T14:10:22.360007
ATC:
D01A
DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C20H24N2O
SMILES:
C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccccc2)C1
BIRTHDAY:
2018-12-01T14:10:22.367111
ATC:
B05X
BLOOD AND BLOOD FORMING ORGANS
BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:
C24H38N4O6
SMILES:
COC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(N)=O
BIRTHDAY:
2018-12-01T14:10:22.377797
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:
C22H25N3O4
SMILES:
CCNC(=O)C(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
BIRTHDAY:
2018-12-01T14:10:22.387144
ATC:
B06A
BLOOD AND BLOOD FORMING ORGANS
OTHER HEMATOLOGICAL AGENTS
OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:
C24H41N5O6
SMILES:
CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](C(C)=O)C(=O)N1CC[C@H](C(N)=O)C1
BIRTHDAY:
2018-12-01T14:10:22.398813
ATC:
A07D
ALIMENTARY TRACT AND METABOLISM
ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
ANTIPROPULSIVES
Synthesis Plan
FORMULA:
C21H29N5O6
SMILES:
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(N)=O)C(=O)C(N)=O
BIRTHDAY:
2018-12-01T14:10:22.409812
ATC:
C02C
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:
C19H27N3O
SMILES:
CC(C)NC(=O)[C@@H](Cc1ccccc1)N[C@]12C=CN(CCC1)C2
BIRTHDAY:
2018-12-01T14:10:22.417594
ATC:
G02A
GENITO URINARY SYSTEM AND SEX HORMONES
OTHER GYNECOLOGICALS
UTEROTONICS
Synthesis Plan
FORMULA:
C22H25N3O4
SMILES:
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)c1ccccc1)C(=O)C(N)=O
BIRTHDAY:
2018-12-01T14:10:22.427012
ATC:
A16A
ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:
C22H24N4O5
SMILES:
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(N)=O
BIRTHDAY:
2018-12-01T14:10:22.437147
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C16H22N2O2
SMILES:
CN(C)C(C)(C)[C@@]1(c2ccccc2)NCCC(=O)C1=O
BIRTHDAY:
2018-12-01T14:10:22.444779
ATC:
N02A
NERVOUS SYSTEM
ANALGESICS
OPIOIDS
Synthesis Plan
FORMULA:
C25H22F3N3O3
SMILES:
CC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1
BIRTHDAY:
2018-12-25T02:02:24.707968
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C24H31N5O3
SMILES:
CC(C)CNC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=N)N)cc1
BIRTHDAY:
2018-12-25T02:02:24.717998
ATC:
J01M
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:
C17H27NO
SMILES:
Cc1cc(C)c(C)c(C(=O)CCCCN(C)C)c1C
BIRTHDAY:
2018-12-25T02:02:24.724180
ATC:
C01D
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:
C21H27FN2O5
SMILES:
C[C@H](NC(=O)C(C)(C)Oc1ccccc1F)C(=O)N1CCCC[C@]12COCC2=O
BIRTHDAY:
2018-12-25T02:02:24.734105
ATC:
D10A
DERMATOLOGICALS
ANTI-ACNE PREPARATIONS
ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C22H25N3O4
SMILES:
CCNC(=O)C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
BIRTHDAY:
2018-12-25T02:02:24.743765
ATC:
B06A
BLOOD AND BLOOD FORMING ORGANS
OTHER HEMATOLOGICAL AGENTS
OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:
C18H18N2O3
SMILES:
COc1ccc(C(=O)CCC(=O)c2ccc(C(=N)N)cc2)cc1
BIRTHDAY:
2018-12-25T02:02:24.751389
ATC:
C01E
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:
C16H14N2O4S
SMILES:
COc1ccccc1C(=O)NCCc1nc2ccsc2c(=O)o1
BIRTHDAY:
2018-12-25T02:02:24.759921
ATC:
V03A
VARIOUS
ALL OTHER THERAPEUTIC PRODUCTS
ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:
C23H27N3O5
SMILES:
COc1ccc(CCC(=O)N[C@H](Cc2ccccc2)C(=O)C(=O)N[C@H](C)C(N)=O)cc1
BIRTHDAY:
2018-12-25T02:02:24.770401
ATC:
B03A
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
IRON PREPARATIONS
Synthesis Plan
FORMULA:
C23H26N4O5
SMILES:
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C)C(=O)c1nnc(-c2ccco2)o1
BIRTHDAY:
2018-12-25T02:02:24.788135
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C21H27FN2O5
SMILES:
C[C@H](NC(=O)C(C)(C)Oc1cccc(F)c1)C(=O)N1CCCC[C@]12COCC2=O
BIRTHDAY:
2018-12-25T02:02:24.805878
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C16H22N2O2
SMILES:
CN(C)C(C)(C)[C@]1(c2ccccc2)CC(=O)C(=O)CN1
BIRTHDAY:
2018-12-25T02:02:24.824039
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C41H46N8O5
SMILES:
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)Nc1ccc2cc1CNCC=CCOC[C@@H]1CCCN(C1)c1ccnc(n1)N2
BIRTHDAY:
2018-12-25T02:02:24.861031
ATC:
L04A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
IMMUNOSUPPRESSANTS
IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:
C26H34N4O5
SMILES:
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O
BIRTHDAY:
2018-12-03T02:38:28.853572
ATC:
V04C
VARIOUS
DIAGNOSTIC AGENTS
OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:
C22H24N4O5
SMILES:
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(N)=O
BIRTHDAY:
2018-12-03T02:38:28.863725
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C22H25N3O4
SMILES:
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)c1ccccc1)C(=O)C(N)=O
BIRTHDAY:
2018-12-03T02:38:28.892945
ATC:
A16A
ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:
C22H27N3O4
SMILES:
COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(C(N)=O)cc2)cc1
BIRTHDAY:
2018-12-03T02:38:28.912468
ATC:
A12B
ALIMENTARY TRACT AND METABOLISM
MINERAL SUPPLEMENTS
POTASSIUM
Synthesis Plan
FORMULA:
C16H22N2O2
SMILES:
CN(C)CCC[C@]1(c2ccccc2)CCC(=O)NC1=O
BIRTHDAY:
2018-12-03T02:38:28.929850
ATC:
N04A
NERVOUS SYSTEM
ANTI-PARKINSON DRUGS
ANTICHOLINERGIC AGENTS
Synthesis Plan
FORMULA:
C15H23N5O2
SMILES:
COc1ccc(CCC(=O)N[C@@H](C2=NNNN2)C(C)C)cc1
BIRTHDAY:
2018-12-03T02:38:28.958007
ATC:
D01A
DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C22H25N3O5
SMILES:
COc1cccc([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NCC(N)=O)c1
BIRTHDAY:
2018-12-03T02:38:28.978223
ATC:
D06B
DERMATOLOGICALS
ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C10H11ClN2OS2
SMILES:
C[C@@H](N[C@@H]1NSC(=O)S1)c1ccccc1Cl
BIRTHDAY:
2018-12-03T02:38:28.985627
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C12H20NO3P
SMILES:
CN(C)CCC[C@@H](c1ccccc1)P(=O)(O)O
BIRTHDAY:
2018-12-03T02:38:28.992598
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C22H24N4O5
SMILES:
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(N)=O
BIRTHDAY:
2018-11-30T03:40:25.049901
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C18H20N4O3
SMILES:
CN(C)CC(=O)Nc1ccccc1[C@@]12C=CC=C[C@@]1(C(N)=O)N=CO2
BIRTHDAY:
2018-11-30T03:40:25.069398
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C22H28N2O4
SMILES:
COc1ccc(C(=O)NCCCCCC(=O)N[C@H](CO)c2ccccc2)cc1
BIRTHDAY:
2018-11-30T03:40:25.077829
ATC:
A10A
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
INSULINS AND ANALOGUES
Synthesis Plan
FORMULA:
C19H34N6O5
SMILES:
C[C@H](NC(=O)C(C)(C)NC(=O)N(C)C)C(=O)N1CCCC[C@@H]1C(=O)NCCC(N)=O
BIRTHDAY:
2018-11-30T03:40:25.125919
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C17H16F6N4O5
SMILES:
CC(C)(NC(=O)Nc1ccccc1C(N)=O)C(=O)NC(C(=O)C(F)(F)F)C(=O)C(F)(F)F
BIRTHDAY:
2018-11-30T03:40:25.137979
ATC:
D01A
DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C23H36N4O3
SMILES:
CC(C)NC(=O)N(C)CC(=O)N1CCCC[C@@H]1c1ccccc1NC(=O)C(C)(C)C
BIRTHDAY:
2018-11-30T03:40:25.147085
ATC:
L01C
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:
C22H26N3O4P
SMILES:
C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)CC(=O)NPO1)c1ccccc1
BIRTHDAY:
2018-11-30T03:40:25.157125
ATC:
C01E
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:
C24H24ClN5O6
SMILES:
CNC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccc(Cl)cc2)o1
BIRTHDAY:
2018-11-30T03:40:25.186649
ATC:
N05B
NERVOUS SYSTEM
PSYCHOLEPTICS
ANXIOLYTICS
Synthesis Plan
FORMULA:
C25H34N2O
SMILES:
CN(C)C(C)(C)[C@]1(c2ccccc2)COCCCCC[C@]2(C#N)C=CC=C[C@H]21
BIRTHDAY:
2018-11-30T03:40:25.195840
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C22H25N3O5
SMILES:
COc1ccc(CCC(=O)N[C@H](Cc2ccccc2)C(=O)C(=O)NCC(N)=O)cc1
BIRTHDAY:
2018-11-30T03:40:25.206727
ATC:
D06B
DERMATOLOGICALS
ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C21H24N2O2
SMILES:
CN(C)CCC[C@]1(c2ccccc2)CC(=O)c2cc(C(N)=O)ccc21
BIRTHDAY:
2018-11-30T03:40:25.214679
ATC:
C09D
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:
C22H25N3O4
SMILES:
C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)C(N)=O)c1ccccc1
BIRTHDAY:
2018-11-19T08:15:31.861427
ATC:
A16A
ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:
C19H23NO
SMILES:
O[C@H]1CCNCCc2ccccc2CCc2ccccc21
BIRTHDAY:
2018-11-19T08:15:31.868502
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C21H28N6O5
SMILES:
C[C@H](Cc1n[nH]c(=O)o1)C(=O)Nc1ccc(C2CCN(C(=O)CN(C)C(N)=O)CC2)cc1
BIRTHDAY:
2018-11-19T08:15:31.879092
ATC:
B01A
BLOOD AND BLOOD FORMING ORGANS
ANTITHROMBOTIC AGENTS
ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:
C27H37N3O2
SMILES:
CC(C)C[C@H](C(=O)Nc1ccc(C2CCN(C(=O)CN(C)C)CC2)cc1)c1ccccc1
BIRTHDAY:
2018-11-19T08:15:31.897583
ATC:
R07A
RESPIRATORY SYSTEM
OTHER RESPIRATORY SYSTEM PRODUCTS
OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:
C22H25N3O4
SMILES:
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)c1ccccc1)C(=O)C(N)=O
BIRTHDAY:
2018-11-19T08:15:31.907108
ATC:
A16A
ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:
C21H22N2O5
SMILES:
COc1ccccc1C(=O)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O
BIRTHDAY:
2018-11-19T08:15:31.916928
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C18H21F3N4O5
SMILES:
C[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(N)=O)C(=O)C(F)(F)F
BIRTHDAY:
2018-11-19T08:15:31.927791
ATC:
V09I
VARIOUS
DIAGNOSTIC RADIOPHARMACEUTICALS
TUMOUR DETECTION
Synthesis Plan
FORMULA:
C21H22N4O5
SMILES:
CNC(=O)C(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(N)=O
BIRTHDAY:
2018-11-19T08:15:31.937905
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C24H30N2O3
SMILES:
CN(C(=O)c1ccccc1C(N)=O)C(C)(C)CC(=O)c1ccccc1C(C)(C)C
BIRTHDAY:
2018-11-19T08:15:31.946510
ATC:
P03B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:
C25H31N
SMILES:
CN(C)CCC[C@]1(c2ccccc2)c2ccccc2[C@H]2C[C@@H]3C[C@@H]2[C@@H]1C3
BIRTHDAY:
2018-11-19T08:15:31.954068
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C18H18N2O3
SMILES:
COc1cccc(C(=O)[C@H](C)C(=O)c2ccccc2C(=N)N)c1
BIRTHDAY:
2018-11-19T08:15:31.972760
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C26H24F3N3O3
SMILES:
CC(=O)c1cccc(NC(=O)CN(C)Cc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1
BIRTHDAY:
2018-11-19T08:15:31.983285
ATC:
N05B
NERVOUS SYSTEM
PSYCHOLEPTICS
ANXIOLYTICS
Synthesis Plan
FORMULA:
C25H37N5O2
SMILES:
CC(C)NC(=O)[C@@H](Cc1ccccc1)N[C@H]1COCCNc2cccc(c2)NCCCN1
BIRTHDAY:
2018-11-19T08:15:32.009657
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C22H27N3O4
SMILES:
COc1cccc(C(=O)NC(C)(C)C(C)(C)C(=O)Nc2cccc(C(N)=O)c2)c1
BIRTHDAY:
2018-11-19T08:15:32.018469
ATC:
H02A
SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
CORTICOSTEROIDS FOR SYSTEMIC USE
CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
Synthesis Plan
FORMULA:
C25H26N4O4
SMILES:
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)N1CC=CCC=N1
BIRTHDAY:
2018-11-19T08:15:32.038492
ATC:
A16A
ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:
C20H22F3N3O4
SMILES:
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@]1(C(N)=O)C=CCC1)C(=O)C(F)(F)F
BIRTHDAY:
2018-11-19T08:15:32.048980
ATC:
V03A
VARIOUS
ALL OTHER THERAPEUTIC PRODUCTS
ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:
C22H25N3O5
SMILES:
COc1ccccc1[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)c1nnc(-c2ccoc2)o1
BIRTHDAY:
2018-11-19T08:15:32.059243
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C22H25N3O2
SMILES:
C[C@@H](NC(=O)[C@@H]1C[C@@H]2CC[C@@](c3ccccc3)(N2)C(=O)N1)c1ccccc1
BIRTHDAY:
2018-11-19T08:15:32.068657
ATC:
V03A
VARIOUS
ALL OTHER THERAPEUTIC PRODUCTS
ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:
C20H21N3O4
SMILES:
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(N)=O
BIRTHDAY:
2018-11-19T08:15:32.078124
ATC:
A16A
ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:
C23H23ClN4O5
SMILES:
C[C@@H](NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2cccc(Cl)c2)o1
BIRTHDAY:
2018-11-19T08:15:32.088809
ATC:
N05B
NERVOUS SYSTEM
PSYCHOLEPTICS
ANXIOLYTICS
Synthesis Plan
FORMULA:
C24H41N3O5
SMILES:
CC(C)C1(C(C)C)C=CC[C@@H](C(=O)N[C@H](CC(C)(C)C)C(=O)N[C@@H](C)C(N)=O)COC1=O
BIRTHDAY:
2018-11-19T08:15:32.116986
ATC:
G03D
GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
PROGESTOGENS
Synthesis Plan
FORMULA:
C36H56N8O2
SMILES:
C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)[C@H]1CCCNCCNCCCCN[C@H]2CN[C@@H](CNC=N1)C2)c1ccccc1
BIRTHDAY:
2018-11-19T08:15:32.140949
ATC:
C03C
CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:
C14H21NS2
SMILES:
CN(C)CCCC1(c2ccccc2)SCCS1
BIRTHDAY:
2018-11-19T08:15:32.147545
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C25H33N3O2
SMILES:
Cc1ccccc1NC(=O)N1C[C@H]2CC[C@@H](O2)[C@@]1(c1ccccc1)C(C)(C)N(C)C
BIRTHDAY:
2018-11-19T08:15:32.158058
ATC:
L02A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ENDOCRINE THERAPY
HORMONES AND RELATED AGENTS
Synthesis Plan
FORMULA:
C23H26N4O5
SMILES:
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C)C(=O)c1nnc(-c2ccoc2)o1
BIRTHDAY:
2018-11-19T08:15:32.168457
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C25H30N2O2
SMILES:
CN(C)C(C)(C)C(=O)c1ccccc1C(=O)Nc1cccc2c1C[C@H]1CC[C@@H]2C1
BIRTHDAY:
2018-11-19T08:15:32.176955
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C22H31FN4O5
SMILES:
C[C@H](NC(=O)[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)C(C)(C)Oc2cccc(F)c2)C1)C(N)=O
BIRTHDAY:
2018-11-19T08:15:32.187937
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C18H19N3O2
SMILES:
Cc1ccc2oc(-c3ccc(NC(=O)CN(C)C)cc3)nc2c1
BIRTHDAY:
2018-11-19T08:15:32.195628
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C25H34N2O2
SMILES:
CN(C)CCC[C@@]1(c2ccccc2)OCc2ccc(CNC(=O)C(C)(C)C)cc21
BIRTHDAY:
2018-11-19T08:15:32.215139
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C24H34N2O5
SMILES:
COc1ccc(CNC(=O)[C@@H](C2=CCC[C@@H](C)OCCNCC(=O)C2=O)C(C)C)cc1
BIRTHDAY:
2018-11-19T08:15:32.225512
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C21H31N5O6
SMILES:
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(N)=O
BIRTHDAY:
2018-11-19T08:15:32.236377
ATC:
G03D
GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
PROGESTOGENS
Synthesis Plan
FORMULA:
C24H37N5O5
SMILES:
CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C
BIRTHDAY:
2018-11-19T08:15:32.247002
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C18H18N2O3
SMILES:
COc1ccccc1C(=O)[C@@H](C)C(=O)c1ccccc1C(=N)N
BIRTHDAY:
2018-11-19T08:15:32.255276
ATC:
C08D
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:
C22H25N3O4
SMILES:
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)c1ccccc1)C(=O)C(N)=O
BIRTHDAY:
2018-11-19T08:15:32.264827
ATC:
A16A
ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:
C17H29N3O5
SMILES:
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCCC[C@H]1C(=O)NCCC(=O)O
BIRTHDAY:
2018-11-19T08:15:32.273611
ATC:
J01F
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:
C20H26N6O7
SMILES:
C[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)C(=O)C(=O)NCC(N)=O
BIRTHDAY:
2018-11-19T08:15:32.285065
ATC:
B03A
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
IRON PREPARATIONS
Synthesis Plan
FORMULA:
C21H38N4O4
SMILES:
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC(C(=O)NC(C)(C)C(C)(C)C(N)=O)CC1
BIRTHDAY:
2018-11-19T08:15:32.294177
ATC:
B02A
BLOOD AND BLOOD FORMING ORGANS
ANTIHEMORRHAGICS
ANTIFIBRINOLYTICS
Synthesis Plan
FORMULA:
C20H24N2O
SMILES:
C[C@]1(c2ccccc2)CCCN(C(=O)NCc2ccccc2)C1
BIRTHDAY:
2018-11-19T08:15:32.301320
ATC:
B05X
BLOOD AND BLOOD FORMING ORGANS
BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:
C19H23N3OSe
SMILES:
CN(C(=O)c1ccccc1C(=N)N)C(C)(C)[C@@H]([SeH])c1ccccc1
BIRTHDAY:
2018-11-19T08:15:32.309363
ATC:
S01H
SENSORY ORGANS
OPHTHALMOLOGICALS
LOCAL ANESTHETICS
Synthesis Plan
FORMULA:
C27H32N4O5S
SMILES:
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NC[C@]1(N)S[C@@H]2C[C@H]1CCO2
BIRTHDAY:
2018-11-19T08:15:32.321318
ATC:
R05C
RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis Plan
FORMULA:
C17H29N3O5
SMILES:
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H](C(=O)NCCC(=O)O)C1
BIRTHDAY:
2018-11-19T08:15:32.329934
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C25H34N4O3
SMILES:
COc1ccccc1[C@@H](C)C(=O)NC(C)(C)C(C)(C)C(=O)NCc1ccccc1C(=N)N
BIRTHDAY:
2018-11-19T08:15:32.339355
ATC:
J01C
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:
C25H29FN4O3
SMILES:
C[C@H](C#N)NC(=O)[C@@H](C[C@@H]1CCNCc2cc(F)ccc2O1)NC(=O)CCc1ccccc1
BIRTHDAY:
2018-11-19T08:15:32.369714
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C35H33N5O
SMILES:
COc1ccccc1C1=C(c2ccccc2)CNCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)NCC1
BIRTHDAY:
2018-11-30T17:22:46.738580
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C23H28N2O2
SMILES:
CC(C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CCC1
BIRTHDAY:
2018-11-30T17:22:46.795722
ATC:
L04A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
IMMUNOSUPPRESSANTS
IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:
C23H36N4O3
SMILES:
CC(C)NC(=O)N(C)CC(=O)N1CCC(c2ccc(NC(=O)C(C)(C)C)cc2)CC1
BIRTHDAY:
2018-11-30T17:22:46.804310
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C21H23NO4Se
SMILES:
Cc1ccc(C(=O)[C@H](C)NC(=O)[C@H]([SeH])CC(=O)OCc2ccccc2)cc1
BIRTHDAY:
2018-11-30T17:22:46.812700
ATC:
D01A
DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C9H10N4O2
SMILES:
O=C1NN[C@H](NC(=O)c2ccccc2)N1
BIRTHDAY:
2018-11-30T17:22:46.819832
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C22H31ClN4O5
SMILES:
C[C@H](NC(=O)[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)C(C)(C)Oc2cccc(Cl)c2)C1)C(N)=O
BIRTHDAY:
2018-11-30T17:22:46.830575
ATC:
G03D
GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
PROGESTOGENS
Synthesis Plan
FORMULA:
C32H33N7O6
SMILES:
NC(=O)C(NC(=O)[C@H](Cc1ccccc1)N[C@@H]1OCC=CCOCc2cccc(c2)Nc2nccc(n2)-c2cc1co2)C(N)=O
BIRTHDAY:
2018-11-30T17:22:46.844285
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H29N5O6
SMILES:
NC(=O)CCCCC[C@@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C(N)=O)C(=O)C(N)=O
BIRTHDAY:
2018-11-30T17:22:46.854725
ATC:
A16A
ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:
C21H27FN2O5
SMILES:
C[C@H](NC(=O)C(C)(C)Oc1ccccc1F)C(=O)N1CCCC[C@@]12COCC2=O
BIRTHDAY:
2018-11-30T17:22:46.872880
ATC:
D10A
DERMATOLOGICALS
ANTI-ACNE PREPARATIONS
ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C18H22ClN3O2
SMILES:
CC(C)NC(=O)[C@]12C=CC[C@H](N1)[C@](N)(c1cccc(Cl)c1)C(=O)C2
BIRTHDAY:
2018-11-30T17:22:46.888068
ATC:
C03C
CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:
C20H30N6O5
SMILES:
C[C@@H](NC(=O)[C@@H](CC(C)(C)C)NC(=O)c1ccccc1/C(N)=N\O)C(=O)NCC(N)=O
BIRTHDAY:
2018-11-30T17:22:46.907835
ATC:
C09C
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:
C19H25NO4
SMILES:
C[C@@H](NC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2CCO[C@@H]1CC2)C(=O)O
BIRTHDAY:
2018-12-02T16:05:55.243655
ATC:
M04A
MUSCULO-SKELETAL SYSTEM
ANTIGOUT PREPARATIONS
ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:
C22H25N3O5
SMILES:
COc1cccc([C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)C(=O)NCC(N)=O)c1
BIRTHDAY:
2018-12-02T16:05:55.253973
ATC:
D06B
DERMATOLOGICALS
ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C33H38N6O4
SMILES:
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc2c3c4c([nH]c3n1)CC[C@H](COCCOCCN2)C4
BIRTHDAY:
2018-12-02T16:05:55.267086
ATC:
B05X
BLOOD AND BLOOD FORMING ORGANS
BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:
C25H30N2O
SMILES:
CC1=C(C)C[C@H]2NC(=O)[C@@H]3C=CC=CC3=N[C@@]2(c2ccccc2)C[C@H](C)CC1
BIRTHDAY:
2018-12-02T16:05:55.275585
ATC:
C03C
CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:
C34H47N3O2
SMILES:
CC(C)(C)NC(=O)C1=CCCCCCCCCCCc2ccc(o2)C2=NC(=Cc3ccc([nH]3)CCCC1)C=C2
BIRTHDAY:
2018-12-02T16:05:55.285760
ATC:
D04A
DERMATOLOGICALS
ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
Synthesis Plan
FORMULA:
C16H21N3O2S
SMILES:
COc1cccc([C@@H](C)C(=O)Nc2nnc(C(C)(C)C)s2)c1
BIRTHDAY:
2018-12-02T16:05:55.293499
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H27FN2O5
SMILES:
C[C@@H](NC(=O)C(C)(C)Oc1ccccc1F)C(=O)N1CCCC[C@]12COCC2=O
BIRTHDAY:
2018-12-02T16:05:55.314107
ATC:
D10A
DERMATOLOGICALS
ANTI-ACNE PREPARATIONS
ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C23H36N4O4
SMILES:
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(N)=O
BIRTHDAY:
2018-12-02T16:05:55.334396
ATC:
H01C
SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
HYPOTHALAMIC HORMONES
Synthesis Plan
FORMULA:
C18H18N2O3
SMILES:
COc1cccc(C(=O)[C@@H](C)C(=O)c2ccccc2C(=N)N)c1
BIRTHDAY:
2018-12-02T16:05:55.353021
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C17H18ClNO2
SMILES:
CC(C)(C)NC(=O)C1=CCC(c2ccc(Cl)cc2)=CC1=O
BIRTHDAY:
2018-12-02T16:05:55.370183
ATC:
C03C
CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:
C25H27N5O7
SMILES:
CC(=O)[C@H](NC(=O)[C@@H](CC(C)(C)C)NC(=O)c1ccc(C(N)=O)cc1)C(=O)c1nnc(-c2ccco2)o1
BIRTHDAY:
2018-12-02T16:05:55.382082
ATC:
C09D
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:
C22H25N3O5
SMILES:
COc1cccc([C@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NCC(N)=O)c1
BIRTHDAY:
2018-12-02T16:05:55.392402
ATC:
D06B
DERMATOLOGICALS
ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C26H40F3N3O3
SMILES:
CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C[C@H](NC(=O)c1ccccc1C(N)=O)C(=O)C(F)(F)F
BIRTHDAY:
2018-12-02T16:05:55.403340
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:
C23H31F3N4O2
SMILES:
CN(C)CC(=O)N1CCCC[C@H]1c1c(NC(=O)[C@H](C#N)C(C)(C)C)cccc1C(F)(F)F
BIRTHDAY:
2018-12-02T16:05:55.414101
ATC:
M03A
MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANTS
MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:
C21H21F3N2O3
SMILES:
CN(CCCCC(=O)c1cccc(C(N)=O)c1)C(=O)c1ccc(C(F)(F)F)cc1
BIRTHDAY:
2018-12-02T16:05:55.423274
ATC:
C09A
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:
C13H21N3
SMILES:
CN(C)CCCC1=NC=NC=CCCC=C1
BIRTHDAY:
2018-12-03T10:42:16.986317
ATC:
C09D
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:
C27H26N2O5
SMILES:
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)C(=O)c1ccccc1
BIRTHDAY:
2018-12-03T10:42:17.011487
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C21H29N5O6
SMILES:
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)C(=O)C(N)=O
BIRTHDAY:
2018-12-03T10:42:17.022577
ATC:
C02C
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:
C38H38N6O3
SMILES:
C[C@@H](NC(=O)[C@H](Cc1ccccc1)Nc1cnc2nc1-c1ccnc(c1)OCCC=CCOCc1cccc(c1)N2)c1ccccc1
BIRTHDAY:
2018-12-03T10:42:17.052273
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C17H27N5O
SMILES:
CC1=N[C@]2(C=C[N-]C=N2)[NH+]=C1C[C@@H](C(=O)NC(C)C)C(C)(C)C
BIRTHDAY:
2018-12-03T10:42:17.106634
ATC:
A14A
ALIMENTARY TRACT AND METABOLISM
ANABOLIC AGENTS FOR SYSTEMIC USE
ANABOLIC STEROIDS
Synthesis Plan
FORMULA:
C27H28N2O3
SMILES:
CN(CC(=O)Nc1ccccc1)C(C)(C)CC(=O)c1ccccc1C(=O)c1ccccc1
BIRTHDAY:
2018-12-03T19:10:42.618666
ATC:
N03A
NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Synthesis plan pending
FORMULA:
C22H31FN4O5
SMILES:
C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)C(C)(C)Oc1cccc(F)c1)C(N)=O
BIRTHDAY:
2018-12-03T19:10:42.640340
ATC:
L02A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ENDOCRINE THERAPY
HORMONES AND RELATED AGENTS
Synthesis Plan
FORMULA:
C24H30N4O5
SMILES:
COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(N)=O)cc1
BIRTHDAY:
2018-12-03T19:10:42.658085
ATC:
B05X
BLOOD AND BLOOD FORMING ORGANS
BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:
C21H34N2O3
SMILES:
COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)CC(C)C
BIRTHDAY:
2018-12-03T19:10:42.722547
ATC:
R07A
RESPIRATORY SYSTEM
OTHER RESPIRATORY SYSTEM PRODUCTS
OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:
C23H37ClN8O4
SMILES:
CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)N(C)Cc1cccc(Cl)c1)C(C)(C)NC(=N)N
BIRTHDAY:
2018-12-03T19:10:42.734516
ATC:
N05B
NERVOUS SYSTEM
PSYCHOLEPTICS
ANXIOLYTICS
Synthesis Plan
FORMULA:
C16H22N2O2
SMILES:
CN(C)CCCC1(c2ccccc2)C(=O)CNCC1=O
BIRTHDAY:
2018-12-03T19:10:42.752171
ATC:
N03A
NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Synthesis Plan
FORMULA:
C25H34N2O2
SMILES:
CN(C)CCC[C@]1(c2ccccc2)OCc2ccc(CNC(=O)C(C)(C)C)cc21
BIRTHDAY:
2018-12-01T22:29:47.079425
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C19H25N5O4
SMILES:
CC1(NC(=O)[C@@H]2Cc3ccc(C#N)c(c3)OCCCCOCCC(=O)N2)NN1
BIRTHDAY:
2018-12-01T22:29:47.089278
ATC:
J01F
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:
C23H28O5
SMILES:
COC(=O)C(C)(C)c1cc(OC)c(OC)cc1C(=O)CCCc1ccccc1
BIRTHDAY:
2018-12-01T22:29:47.097680
ATC:
A03A
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:
C17H27F3N4O4
SMILES:
C[C@@H](NC(=O)C(C)(C)NC(=O)N(C)C)C(=O)N1CCC(C(=O)C(F)(F)F)CC1
BIRTHDAY:
2018-12-01T22:29:47.124346
ATC:
L02A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ENDOCRINE THERAPY
HORMONES AND RELATED AGENTS
Synthesis Plan
FORMULA:
C16H22N2O2
SMILES:
CN(C)C(C)(C)[C@@]1(c2ccccc2)CC(=O)C(=O)CN1
BIRTHDAY:
2018-12-01T22:29:47.142333
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C11H11ClN2O2
SMILES:
O=C(NC1=CCCON1)c1ccc(Cl)cc1
BIRTHDAY:
2018-12-01T22:29:47.159443
ATC:
D01A
DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C21H25N3O4
SMILES:
COc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2C(N)=O)cc1
BIRTHDAY:
2018-12-01T22:29:47.197920
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
