matter.farm
Computer-generated molecule database for public drug discovery.
About this project.
These compounds may interact with:
Neuropeptides B/W receptor type 1
Potentially involved in
: carcinoma
Disease data sourced from
Pharos
.
Unknown Action
FORMULA:
C24H21F3N2O2
SMILES:
CC(C)c1ccccc1NC(=O)c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1
BIRTHDAY:
2018-12-01T14:11:01.564167
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1ccccc1Oc1cc(Cl)nn(-c2ccccc2C(C)C)c1=O
BIRTHDAY:
2018-12-01T14:11:01.572745
ATC:
N07C
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:
C24H21F3N2O2
SMILES:
CC(C)c1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1
BIRTHDAY:
2018-12-01T14:11:01.581970
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1ccccc1Oc1cc(Cl)c(=O)n(-c2ccccc2C(C)C)n1
BIRTHDAY:
2018-12-01T14:11:01.590676
ATC:
V08A
VARIOUS
CONTRAST MEDIA
X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:
C21H18ClN3O2S2
SMILES:
CC(C)c1ccc(Oc2c(Cl)cnn(-c3ccc(C4=NCSS4)cc3)c2=O)cc1
BIRTHDAY:
2018-12-01T14:11:01.599952
ATC:
N04A
NERVOUS SYSTEM
ANTI-PARKINSON DRUGS
ANTICHOLINERGIC AGENTS
Synthesis Plan
FORMULA:
C21H15N3O6
SMILES:
O=C(O)c1ccc(NC(=O)c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
BIRTHDAY:
2018-12-01T14:11:01.627556
ATC:
J01X
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:
C20H23NO4
SMILES:
CCOC(=O)c1cc(C)cc(NC(=O)c2cccc(OC(C)C)c2)c1
BIRTHDAY:
2018-12-01T14:11:01.635431
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H21ClN2O3
SMILES:
CCOc1ccccc1Oc1cc(=O)n(-c2ccccc2C(C)C)nc1Cl
BIRTHDAY:
2018-12-01T14:11:01.643954
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C24H21F3N2O2
SMILES:
CC(C)c1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c1
BIRTHDAY:
2018-12-01T14:11:01.653242
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1ccccc1Oc1cc(=O)n(-c2ccccc2C(C)C)nc1Cl
BIRTHDAY:
2018-12-01T14:11:01.661730
ATC:
N07B
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:
C31H27N3O6
SMILES:
COc1cccc2c1NC(=O)C(=O)c1ccc(cc1)OCC=C[C@@](C(=O)NC1(C#N)CC1)(c1ccccc1)OC2
BIRTHDAY:
2018-12-01T14:11:01.675109
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C18H18ClN3O2
SMILES:
CC(C)Cc1ccc(Oc2c(Cl)cnn(C3(C#N)CC3)c2=O)cc1
BIRTHDAY:
2018-12-01T14:11:01.683177
ATC:
N03A
NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Synthesis Plan
FORMULA:
C25H20F3N3O6
SMILES:
C[C@@H](c1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)[C@H](C(=O)O)C(F)(F)F
BIRTHDAY:
2018-12-01T14:11:01.695635
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C20H16ClF3N2O2
SMILES:
CC(C)c1ccc(Oc2c(Cl)cnn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1
BIRTHDAY:
2018-12-25T02:03:04.971650
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C28H25N3O3
SMILES:
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1CN(Cc1ccccc1)Cc1ccccc1
BIRTHDAY:
2018-12-25T02:03:04.981949
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C19H26HgN3O3
SMILES:
COc1ccc(OC2=CCNN=C2[Hg])c([C@H](C)C(=O)NCC(C)(C)C)c1
BIRTHDAY:
2018-12-25T02:03:04.999425
ATC:
V03A
VARIOUS
ALL OTHER THERAPEUTIC PRODUCTS
ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:
C18H18ClN3O2
SMILES:
CC(C)Cc1ccccc1Oc1cc(Cl)c(=O)n(C2(C#N)CC2)n1
BIRTHDAY:
2018-12-25T02:03:05.007847
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C19H22N2O3
SMILES:
CCOC(=O)c1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)C
BIRTHDAY:
2018-12-25T02:03:05.033808
ATC:
N03A
NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Synthesis Plan
FORMULA:
C24H21F3N2O2
SMILES:
CC(C)c1ccc(NC(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1
BIRTHDAY:
2018-12-25T02:03:05.053310
ATC:
L04A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
IMMUNOSUPPRESSANTS
IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1ccccc1Oc1cnn(-c2ccccc2C(C)C)c(=O)c1Cl
BIRTHDAY:
2018-12-25T02:03:05.061856
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1ccccc1Oc1nn(-c2ccccc2C(C)C)c(=O)cc1Cl
BIRTHDAY:
2018-12-25T02:03:05.070554
ATC:
A03A
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1ccccc1Oc1c(Cl)cnn(-c2ccccc2C(C)C)c1=O
BIRTHDAY:
2018-12-25T02:03:05.087962
ATC:
N01A
NERVOUS SYSTEM
ANESTHETICS
ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:
C26H26ClN3O7
SMILES:
CCOC(=O)c1ccc(Oc2nn(-c3ccc(C(=O)N[C@@H](C(=O)OC)C(C)C)cc3)c(=O)cc2Cl)cc1
BIRTHDAY:
2018-12-25T02:03:05.099686
ATC:
A03A
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:
C20H16ClF3N2O2
SMILES:
CC(C)c1ccc(Oc2c(Cl)cnn(-c3cccc(C(F)(F)F)c3)c2=O)cc1
BIRTHDAY:
2018-12-25T02:03:05.117600
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C8H8N4O3
SMILES:
Cc1ccc(O)c(O)c1C1(O)N=NN=N1
BIRTHDAY:
2018-12-03T02:39:08.510622
ATC:
B05X
BLOOD AND BLOOD FORMING ORGANS
BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:
C29H30ClNO
SMILES:
CC(C)(C)c1ccc(N2C[C@H]3C(c4ccccc4)=C(c4ccccc4Cl)[C@H]2C[C@@H]3O)cc1
BIRTHDAY:
2018-12-03T02:39:08.536928
ATC:
C03B
CARDIOVASCULAR SYSTEM
DIURETICS
LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:
C27H23N3O5
SMILES:
Cc1ccccc1C(=O)Nc1ccc(C(=O)Nc2cccc([C@@H]3C=C(C(=O)[O-])OC(=[NH2+])C3)c2)cc1
BIRTHDAY:
2018-12-03T02:39:08.555378
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1ccc(Oc2cnn(-c3ccccc3C(C)C)c(=O)c2Cl)cc1
BIRTHDAY:
2018-12-03T02:39:08.581875
ATC:
C03C
CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:
C24H23N3O3S
SMILES:
COc1ccccc1Oc1c2c(n[nH]c1=O)[C@H]1S[C@@H]2C=C[C@@H]1c1ccccc1[C@H](C)N
BIRTHDAY:
2018-12-03T02:39:08.591694
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:
C24H33N3O4
SMILES:
CCOC(=O)c1ccc(OC[C@H](C)N(C)C)c(NC(=O)[C@H](c2ccccc2)N(C)C)c1
BIRTHDAY:
2018-12-03T02:39:08.610543
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C25H23ClN2O4
SMILES:
COc1cccc(Oc2cc(Cl)c(=O)n(-c3cccc4c3[C@H]3C[C@@H]5[C@H](CCC[C@H]45)O3)n2)c1
BIRTHDAY:
2018-12-03T02:39:08.621014
ATC:
C09A
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:
C36H32ClN7O2
SMILES:
CC(C)c1ccc(Oc2c(Cl)cnn(-c3ccc4c(c3)CNc3cnc5cccc(c5n3)-c3cc5c([nH]3)[C@H](CNC5)C4)c2=O)cc1
BIRTHDAY:
2018-11-30T03:41:05.591471
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C25H51NO
SMILES:
CCCCCCCCCCCCCCCCCCCCC(=O)NCC(C)C
BIRTHDAY:
2018-11-30T03:41:05.607138
ATC:
D10A
DERMATOLOGICALS
ANTI-ACNE PREPARATIONS
ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C21H26N4O4
SMILES:
CCOC(=O)c1ccccc1NC(=O)C(N)(N)C(=O)Nc1cccc(C(C)C)c1
BIRTHDAY:
2018-11-30T03:41:05.633381
ATC:
C04A
CARDIOVASCULAR SYSTEM
PERIPHERAL VASODILATORS
PERIPHERAL VASODILATORS
Synthesis Plan
FORMULA:
C21H21ClN2O3
SMILES:
COc1ccccc1Oc1cc(Cl)nn(-c2ccccc2C(C)(C)C)c1=O
BIRTHDAY:
2018-11-30T03:41:05.642076
ATC:
N07C
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:
C20H24N2O3
SMILES:
CCOC(=O)c1ccccc1NC(=O)[C@@H](Cc1ccccc1)N(C)C
BIRTHDAY:
2018-11-30T03:41:05.649962
ATC:
N01B
NERVOUS SYSTEM
ANESTHETICS
ANESTHETICS, LOCAL
Synthesis Plan
FORMULA:
C21H14F3N3O4
SMILES:
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1
BIRTHDAY:
2018-11-30T03:41:05.695839
ATC:
C02A
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1cccc(Oc2cc(Cl)nn(-c3ccc(C(C)C)cc3)c2=O)c1
BIRTHDAY:
2018-11-19T08:11:51.231661
ATC:
R03D
RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:
C25H23F3N2O2
SMILES:
CC(C)(C)c1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1
BIRTHDAY:
2018-11-19T08:11:51.241117
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H21ClN2O2
SMILES:
CCCc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)cc3)c2=O)cc1
BIRTHDAY:
2018-11-19T08:11:51.249060
ATC:
V08C
VARIOUS
CONTRAST MEDIA
MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:
C20H16ClF3N2O2
SMILES:
CC(C)c1ccccc1Oc1cnn(-c2ccccc2C(F)(F)F)c(=O)c1Cl
BIRTHDAY:
2018-11-19T08:11:51.258416
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:
C20H19ClN2O4
SMILES:
CCOC(=O)c1cccc(NC(=O)C2(C(=O)Nc3ccccc3Cl)CC2)c1
BIRTHDAY:
2018-11-19T08:11:51.267351
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C18H23N5O5
SMILES:
CCOC(=O)c1cccc2c1NCCNC(=O)C(=O)NC[C@H]1NC[C@@H](N2)C1=O
BIRTHDAY:
2018-11-19T08:11:51.277683
ATC:
A07A
ALIMENTARY TRACT AND METABOLISM
ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:
C25H35NO
SMILES:
CC(C)C[C@@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccc(C(C)(C)C)cc1
BIRTHDAY:
2018-11-19T08:11:51.293614
ATC:
G01A
GENITO URINARY SYSTEM AND SEX HORMONES
GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1cccc(Oc2nn(-c3ccc(C(C)C)cc3)c(=O)cc2Cl)c1
BIRTHDAY:
2018-11-19T08:11:51.302192
ATC:
V09C
VARIOUS
DIAGNOSTIC RADIOPHARMACEUTICALS
RENAL SYSTEM
Synthesis Plan
FORMULA:
C20H23NO4
SMILES:
CCOC(=O)c1cccc(C)c1NC(=O)c1cccc(OC(C)C)c1
BIRTHDAY:
2018-11-19T08:11:51.319145
ATC:
G01A
GENITO URINARY SYSTEM AND SEX HORMONES
GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:
C37H39N7O7S
SMILES:
CCOC(=O)c1ccccc1NC(=O)c1ccccc1OCC(=O)Nc1cccc2cc3nc(c12)C1=N[C@](N)(CNCCOCCCNC3)C(=O)S1
BIRTHDAY:
2018-11-19T08:11:51.336168
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C24H21F3N2O2
SMILES:
CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
BIRTHDAY:
2018-11-19T08:11:51.345562
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C18H18ClN3O2
SMILES:
CC(C)Cc1cccc(Oc2c(Cl)cnn(C3(C#N)CC3)c2=O)c1
BIRTHDAY:
2018-11-19T08:11:51.353687
ATC:
N03A
NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Synthesis Plan
FORMULA:
C24H22F5N5O2
SMILES:
CC(C)(C)c1ccccc1C(=O)Nc1ccccc1O[C@@]12NN=CC=C1N=C(C(F)(F)C(F)(F)F)N2
BIRTHDAY:
2018-11-19T08:11:51.365727
ATC:
C09C
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:
C39H38ClN5O4
SMILES:
CC(C)c1ccccc1Oc1nn(-c2cccc3c2N2C[C@H]3NC(=O)CNCc3cccc(c3)Oc3cccc(c3)C2(C)C)c(=O)cc1Cl
BIRTHDAY:
2018-11-19T08:11:51.388558
ATC:
B01A
BLOOD AND BLOOD FORMING ORGANS
ANTITHROMBOTIC AGENTS
ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:
C21H16Cl2N4O4
SMILES:
COc1cccc(OC2=NN(c3ccccc3Cl)[C@@](Cl)(n3cc[nH]c(=O)c3=O)C=C2)c1
BIRTHDAY:
2018-11-19T08:11:51.399262
ATC:
C02A
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1cccc(Oc2nn(-c3ccccc3C(C)C)c(=O)cc2Cl)c1
BIRTHDAY:
2018-11-19T08:11:51.408271
ATC:
C03B
CARDIOVASCULAR SYSTEM
DIURETICS
LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:
C20H16ClF3N2O2
SMILES:
CC(C)c1ccccc1Oc1c(Cl)cnn(-c2ccccc2C(F)(F)F)c1=O
BIRTHDAY:
2018-11-19T08:11:51.417699
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:
C24H27N3O3
SMILES:
CC(C)(C)c1cccc(NC(=O)CN2NC(OCc3ccccc3)=CC=CC2=O)c1
BIRTHDAY:
2018-11-19T08:11:51.444798
ATC:
A07E
ALIMENTARY TRACT AND METABOLISM
ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
INTESTINAL ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:
C21H30N2O5
SMILES:
CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(=O)O[C@@H]1O
BIRTHDAY:
2018-11-19T08:11:51.453757
ATC:
N03A
NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Synthesis Plan
FORMULA:
C30H39ClN6O3
SMILES:
COc1ccc(OC2=C3C(=NN(c4ccc(C(C)C)cc4)[C@@H]2Cl)[C@H]2CNCCNCCNCC(=O)N[C@H]3C2)cc1
BIRTHDAY:
2018-11-19T08:11:51.474269
ATC:
A14A
ALIMENTARY TRACT AND METABOLISM
ANABOLIC AGENTS FOR SYSTEMIC USE
ANABOLIC STEROIDS
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1ccc(Oc2cc(Cl)c(=O)n(-c3cccc(C(C)C)c3)n2)cc1
BIRTHDAY:
2018-11-19T08:11:51.482754
ATC:
R03D
RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:
C21H26N2O4
SMILES:
CCOC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N(C)C)c1OCC
BIRTHDAY:
2018-11-19T08:11:51.491327
ATC:
N03A
NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Synthesis Plan
FORMULA:
C24H22N2O5
SMILES:
CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)Nc2ccc(C)cc2)cc1
BIRTHDAY:
2018-11-19T08:11:51.517992
ATC:
B01A
BLOOD AND BLOOD FORMING ORGANS
ANTITHROMBOTIC AGENTS
ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:
C24H21F3N2O2
SMILES:
CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(F)(F)F)cc1
BIRTHDAY:
2018-11-19T08:11:51.527899
ATC:
S02D
SENSORY ORGANS
OTOLOGICALS
OTHER OTOLOGICALS
Synthesis Plan
FORMULA:
C21H15N3O6
SMILES:
O=C(Nc1ccccc1C(=O)O)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1
BIRTHDAY:
2018-11-19T08:11:51.538199
ATC:
P03B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:
C20H24N2O4
SMILES:
CCOC(=O)c1ccccc1NC(=O)[C@H](c1ccccc1OC)N(C)C
BIRTHDAY:
2018-11-19T08:11:51.546746
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:
C31H45FN4O2
SMILES:
CC1(C)CCCCCCCCN[C@@](C)(C(=O)Nc2ccccc2C(=O)Nc2ccccc2F)CNCCC1
BIRTHDAY:
2018-11-19T08:11:51.567435
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C25H30ClN3O4S
SMILES:
COc1ccc(OC2=C3CCN(C(C)C)S(=O)(=O)C3=NN(c3ccc(C(C)C)cc3)[C@@H]2Cl)cc1
BIRTHDAY:
2018-11-19T08:11:51.578995
ATC:
D07A
DERMATOLOGICALS
CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:
C15H19N3O4
SMILES:
CCOC(=O)c1ccccc1NC(=O)[C@H](C)N1C=CNOC1
BIRTHDAY:
2018-11-19T08:11:51.587820
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:
C21H21ClN2O2
SMILES:
Cc1ccccc1-n1nc(Cl)c(Oc2ccccc2CC(C)C)cc1=O
BIRTHDAY:
2018-11-19T08:11:51.596175
ATC:
N07B
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:
C28H25N3O3
SMILES:
O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1CN(Cc1ccccc1)Cc1ccccc1
BIRTHDAY:
2018-11-19T08:11:51.609023
ATC:
L04A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
IMMUNOSUPPRESSANTS
IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:
C26H26Cl2N2O2
SMILES:
CC(C)[C@@H](C)N(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(-c2ccccc2C(N)=O)c1
BIRTHDAY:
2018-11-19T08:11:51.628040
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C25H23F3N2O2
SMILES:
CC(C)(C)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(F)(F)F)cc1
BIRTHDAY:
2018-11-19T08:11:51.637927
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C20H16ClF3N2O2
SMILES:
CC(C)c1ccccc1Oc1cc(=O)n(-c2ccccc2C(F)(F)F)nc1Cl
BIRTHDAY:
2018-11-19T08:11:51.647247
ATC:
N02A
NERVOUS SYSTEM
ANALGESICS
OPIOIDS
Synthesis Plan
FORMULA:
C30H29N5O2
SMILES:
Cc1ccccc1C(=O)Nc1ccc2cc1CNCC=CCCOc1cccc(c1)-c1ccnc(n1)N2
BIRTHDAY:
2018-11-19T08:11:51.657944
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C25H31NO5
SMILES:
CCOC(=O)c1ccc(OC(=O)C(C)(C)C)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1
BIRTHDAY:
2018-11-19T08:11:51.667154
ATC:
P02C
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTHELMINTICS
ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:
C32H38ClF3N4O
SMILES:
Cc1c2c3c(n1CCCCCCNCCC2)=C(Oc1ccc(C(C)C)cc1)[C@@H](Cl)N(c1ccc(C(F)(F)F)cc1)N=3
BIRTHDAY:
2018-11-19T08:11:51.679055
ATC:
C02K
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:
C20H16ClF3N2O2
SMILES:
CC(C)c1ccccc1Oc1cc(Cl)c(=O)n(-c2ccccc2C(F)(F)F)n1
BIRTHDAY:
2018-11-19T08:11:51.688706
ATC:
R07A
RESPIRATORY SYSTEM
OTHER RESPIRATORY SYSTEM PRODUCTS
OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:
C34H29F3N2O3
SMILES:
CC1(C)[C@H]2[C@@H]3[C@H]4[C@H]5[C@@H]6O[C@@](c7ccc(NC(=O)c8ccccc8NC(=O)c8ccc(C(F)(F)F)cc8)cc7)([C@@H]2[C@H]6[C@@H]41)[C@H]35
BIRTHDAY:
2018-11-19T08:11:51.710682
ATC:
L02B
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ENDOCRINE THERAPY
HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:
C27H28N2O5
SMILES:
CCOC(=O)c1ccccc1NC(=O)c1cccc(OC(=O)Nc2ccc(C(C)(C)C)cc2)c1
BIRTHDAY:
2018-11-30T17:23:27.415985
ATC:
A01A
ALIMENTARY TRACT AND METABOLISM
STOMATOLOGICAL PREPARATIONS
STOMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C25H26ClN5O5
SMILES:
COc1ccc(OC2=C3C(=O)[C@H](NC(C)=O)C(=O)NNC3=NN(c3ccc(C(C)C)cc3)[C@@H]2Cl)cc1
BIRTHDAY:
2018-11-30T17:23:27.427796
ATC:
D10A
DERMATOLOGICALS
ANTI-ACNE PREPARATIONS
ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1cccc(Oc2cnn(-c3ccccc3C(C)C)c(=O)c2Cl)c1
BIRTHDAY:
2018-11-30T17:23:27.489208
ATC:
C03B
CARDIOVASCULAR SYSTEM
DIURETICS
LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:
C24H21F3N2O2
SMILES:
CC(C)c1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)c1
BIRTHDAY:
2018-11-30T17:23:27.498882
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C22H21ClN2O4
SMILES:
CCOC(=O)c1ccccc1Oc1cc(=O)n(-c2ccccc2C(C)C)nc1Cl
BIRTHDAY:
2018-11-30T17:23:27.516489
ATC:
C03C
CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:
C18H20O3
SMILES:
COc1cccc(O[C@@]23C=CC=C[C@@H]2C=CCCCO3)c1
BIRTHDAY:
2018-12-02T16:06:35.559276
ATC:
G01A
GENITO URINARY SYSTEM AND SEX HORMONES
GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:
C28H24ClN5O4
SMILES:
O=C(Nc1ccc(Cl)cc1)c1cnc2nc1-c1cncc(c1)COCC=CCOCc1cc(ccc1O)N2
BIRTHDAY:
2018-12-02T16:06:35.597562
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C24H24N4O2
SMILES:
Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccc(C(=N)N)cc3)c2)cc1
BIRTHDAY:
2018-12-02T16:06:35.615231
ATC:
L01B
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
ANTIMETABOLITES
Synthesis Plan
FORMULA:
C24H21F3N2O2
SMILES:
CC(C)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)c1
BIRTHDAY:
2018-12-02T16:06:35.624652
ATC:
L04A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
IMMUNOSUPPRESSANTS
IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1cccc(Oc2c(Cl)cnn(-c3ccc(C(C)C)cc3)c2=O)c1
BIRTHDAY:
2018-12-03T10:42:57.333231
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C18H18ClN3O4
SMILES:
COc1ccc(Oc2c(Cl)cnn([C@@H]3C[C@@H]4N[C@@H]3C[C@@]43CO3)c2=O)cc1
BIRTHDAY:
2018-12-03T10:42:57.343325
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C24H21F3N2O2
SMILES:
CC(C)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(F)(F)F)c1
BIRTHDAY:
2018-12-03T10:42:57.381522
ATC:
R03D
RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:
C21H30N6O2
SMILES:
CC(C)C[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
BIRTHDAY:
2018-12-03T10:42:57.391303
ATC:
V10A
VARIOUS
THERAPEUTIC RADIOPHARMACEUTICALS
ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:
C16H22N2O5
SMILES:
CCOC(=O)c1cccc(NC(=O)[C@@H](CC(=O)OC)N(C)C)c1
BIRTHDAY:
2018-12-03T10:42:57.399406
ATC:
P03B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:
C24H21F3N2O2
SMILES:
CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
BIRTHDAY:
2018-12-03T10:42:57.417414
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C18H18ClN3O2
SMILES:
CC(C)Cc1ccccc1Oc1c(Cl)cnn(C2(C#N)CC2)c1=O
BIRTHDAY:
2018-12-03T10:42:57.434531
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C20H16ClF3N2O2
SMILES:
CC(C)c1ccccc1Oc1nn(-c2ccccc2C(F)(F)F)c(=O)cc1Cl
BIRTHDAY:
2018-12-03T10:42:57.444084
ATC:
A03A
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:
C23H23ClN2O4
SMILES:
COC(=O)[C@@H](Cc1ccccc1)n1nc(Oc2cccc(C(C)C)c2)c(Cl)cc1=O
BIRTHDAY:
2018-12-03T10:42:57.480388
ATC:
V03A
VARIOUS
ALL OTHER THERAPEUTIC PRODUCTS
ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:
C19H17ClN2O2
SMILES:
Cc1ccc(C)c(Oc2cc(Cl)nn(-c3ccccc3C)c2=O)c1
BIRTHDAY:
2018-12-03T19:11:22.360784
ATC:
N07C
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:
C28H36ClN5O3
SMILES:
CC(C)Cc1cccc(O[C@@]23COCCN[C@@H](C#N)COCCCCC2=CC(Cl)=NN3C2(C#N)CC2)c1
BIRTHDAY:
2018-12-03T19:11:22.418914
ATC:
N02A
NERVOUS SYSTEM
ANALGESICS
OPIOIDS
Synthesis Plan
FORMULA:
C29H25Cl2N3O3
SMILES:
COc1ccc(Oc2c(Cl)cnn(-c3ccc4c(c3)CN3CCC4(c4ccc(Cl)cc4)CC3)c2=O)cc1
BIRTHDAY:
2018-12-03T19:11:22.475212
ATC:
P01B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
ANTIMALARIALS
Synthesis Plan
FORMULA:
C25H23F3N2O2
SMILES:
CC(C)(C)c1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c1
BIRTHDAY:
2018-12-03T19:11:22.484750
ATC:
C03B
CARDIOVASCULAR SYSTEM
DIURETICS
LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:
C26H22N4O3
SMILES:
Cc1ccc(C(=O)Nc2ccc(C(=O)NC3=NCC(=O)NC(c4ccccc4)=C3)cc2)cc1
BIRTHDAY:
2018-12-01T22:30:27.375864
ATC:
N03A
NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Synthesis Plan
FORMULA:
C20H19ClN2O3
SMILES:
COc1ccccc1Oc1cc(Cl)nn(-c2ccc(C(C)C)cc2)c1=O
BIRTHDAY:
2018-12-01T22:30:27.401575
ATC:
N07B
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:
C25H23F3N2O2
SMILES:
CC(C)(C)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc1
BIRTHDAY:
2018-12-01T22:30:27.410824
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C21H21ClN2O2
SMILES:
Cc1ccc(-n2ncc(Cl)c(Oc3ccc(CC(C)C)cc3)c2=O)cc1
BIRTHDAY:
2018-12-01T22:30:27.454305
ATC:
R02A
RESPIRATORY SYSTEM
THROAT PREPARATIONS
THROAT PREPARATIONS
Synthesis Plan
FORMULA:
C20H19ClN2O2
SMILES:
Cc1ccccc1-n1nc(Oc2cccc(C(C)C)c2)cc(Cl)c1=O
BIRTHDAY:
2018-12-01T22:30:27.471402
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
