matter.farm
Computer-generated molecule database for public drug discovery.
About this project.
These compounds may interact with:
Orexin type-2 receptor isoform 1
No disease data available for this receptor.
Unknown Action
FORMULA:
C22H25N7O
SMILES:
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c1
BIRTHDAY:
2018-12-01T14:12:09.448956
ATC:
C01B
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:
C26H24FN7O
SMILES:
O=C(c1ccc(F)c(-n2nccn2)c1)N1CCC[C@@]12CCCN2c1cnc(-c2ccccc2)nc1
BIRTHDAY:
2018-12-01T14:12:09.461503
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C22H25N7O
SMILES:
Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc(C)c4-n4nccn4)C[C@H]3C2)n1
BIRTHDAY:
2018-12-01T14:12:09.471401
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C32H30F3N5O2
SMILES:
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O
BIRTHDAY:
2018-12-01T14:12:09.483812
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C23H21ClN6O2
SMILES:
Cc1ccc(-c2nc([C@@H]3CCN(C(=O)c4cccc(-n5nccn5)c4C)C3)no2)cc1Cl
BIRTHDAY:
2018-12-01T14:12:09.494184
ATC:
N07C
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:
C23H21ClN6O2
SMILES:
Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3C)no2)c1
BIRTHDAY:
2018-12-01T14:12:09.505136
ATC:
C08D
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:
C36H45N5O5
SMILES:
COc1ccc(N2CCCOCCCCOc3ccc(c(C)c3)C(=O)C2)cc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1
BIRTHDAY:
2018-12-01T14:12:09.518614
ATC:
A10A
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
INSULINS AND ANALOGUES
Synthesis Plan
FORMULA:
C22H25N7O
SMILES:
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc(-n5nccn5)c(C)c4)C[C@H]3C2)n1
BIRTHDAY:
2018-12-01T14:12:09.539436
ATC:
D01A
DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C26H24FN7O
SMILES:
O=C(c1ccc(F)c(-n2nccn2)c1)N1CCC[C@]12CCCN2c1cnc(-c2ccccc2)nc1
BIRTHDAY:
2018-12-01T14:12:09.551811
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C21H20FN5O2
SMILES:
O=C(c1cc(F)cc(-n2nccn2)c1)N1C2CCC1(COc1ccccn1)CC2
BIRTHDAY:
2018-12-01T14:12:09.561504
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C22H21NO4S
SMILES:
Cc1ccc(-c2nc(COc3cccc(C4=CSC[C@H](O)O4)c3)c(C)o2)cc1
BIRTHDAY:
2018-12-01T14:12:09.570460
ATC:
D07A
DERMATOLOGICALS
CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:
C16H12FNO2
SMILES:
Fc1ccccc1C1=NC=C(Oc2ccccc2)OC1
BIRTHDAY:
2018-12-01T14:12:09.577595
ATC:
L01B
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
ANTIMETABOLITES
Synthesis Plan
FORMULA:
C24H24N6O3
SMILES:
COc1ccc(-c2noc([C@@H]3CCN(C(=O)c4cccc(-n5nccn5)c4C)C3)n2)cc1C
BIRTHDAY:
2018-12-01T14:12:09.588285
ATC:
C01B
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:
C23H22N6O3
SMILES:
COc1ccc(-c2nc([C@H]3CCN(C(=O)c4ccc(-n5nccn5)c(C)c4)C3)no2)cc1
BIRTHDAY:
2018-12-01T14:12:09.598713
ATC:
R05D
RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:
C23H27N7O2
SMILES:
COc1c(C(=O)N2CCC[C@@]23CCCN3c2c(C)ncnc2C)cccc1-n1nccn1
BIRTHDAY:
2018-12-25T02:04:10.204610
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C23H21ClN6O2
SMILES:
Cc1ccc(-c2nc([C@H]3CCN(C(=O)c4cccc(-n5nccn5)c4C)C3)no2)cc1Cl
BIRTHDAY:
2018-12-25T02:04:10.215141
ATC:
N07C
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:
C26H24FN7O
SMILES:
O=C(c1ccc(F)c(-n2nccn2)c1)N1CCC[C@]12CCCN2c1cncnc1-c1ccccc1
BIRTHDAY:
2018-12-25T02:04:10.227957
ATC:
C02A
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:
C22H18F3N7O2
SMILES:
Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H]2c2nc(-c3cccnc3C(F)(F)F)no2)c1
BIRTHDAY:
2018-12-25T02:04:10.251332
ATC:
C01B
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:
C23H27N7O
SMILES:
Cc1ccc(C(=O)N2CCC[C@@]23CCCN3c2c(C)ncnc2C)cc1-n1nccn1
BIRTHDAY:
2018-12-25T02:04:10.262438
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C24H24N6O3
SMILES:
COc1ccc(-c2nc([C@H]3CCN(C(=O)c4cccc(-n5nccn5)c4C)C3)no2)cc1C
BIRTHDAY:
2018-12-25T02:04:10.273038
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:
C24H24N6O3
SMILES:
COc1ccc(-c2noc([C@H]3CCN(C(=O)c4cccc(-n5nccn5)c4C)C3)n2)cc1C
BIRTHDAY:
2018-12-25T02:04:10.294940
ATC:
C01B
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:
C26H24FN7O
SMILES:
O=C(c1ccc(F)c(-n2nccn2)c1)N1CCC[C@@]12CCCN2c1cncnc1-c1ccccc1
BIRTHDAY:
2018-12-25T02:04:10.307755
ATC:
C02A
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:
C23H21ClN6O2
SMILES:
Cc1ccc(-c2nc([C@@H]3CCN(C(=O)c4ccc(-n5nccn5)c(C)c4)C3)no2)cc1Cl
BIRTHDAY:
2018-12-25T02:04:10.318352
ATC:
V08A
VARIOUS
CONTRAST MEDIA
X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:
C21H20FN5O2
SMILES:
O=C(c1cc(F)cc(-n2nccn2)c1)N1C2CCC1(COc1ccncc1)CC2
BIRTHDAY:
2018-12-25T02:04:10.338677
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C23H22N6O3
SMILES:
COc1ccc(-c2nc([C@@H]3CCN(C(=O)c4cccc(-n5nccn5)c4C)C3)no2)cc1
BIRTHDAY:
2018-12-25T02:04:10.349088
ATC:
R03D
RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:
C20H21FN4O3S
SMILES:
O=C1CNCCSc2cccc(F)c2NC(=O)[C@@H](c2ccccc2)NC(=O)CN1
BIRTHDAY:
2018-12-25T02:04:10.359588
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C21H20FN5O2
SMILES:
O=C(c1cccc(-n2nccn2)c1F)N1C2CCC1(COc1ccncc1)CC2
BIRTHDAY:
2018-12-03T02:40:17.331380
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C23H27N7O
SMILES:
Cc1ccc(C(=O)N2CCC[C@]23CCCN3c2c(C)ncnc2C)cc1-n1nccn1
BIRTHDAY:
2018-12-03T02:40:17.342355
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C27H27F3N6O2
SMILES:
N[C@@]1(c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)C(=O)CCN[C@@]12CCCCN2c1cnccn1
BIRTHDAY:
2018-12-03T02:40:17.354923
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C23H27N7O2
SMILES:
COc1c(C(=O)N2CCC[C@@]23CCCN3c2cnc(C)nc2C)cccc1-n1nccn1
BIRTHDAY:
2018-12-03T02:40:17.387896
ATC:
C09D
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:
C20H17F4N7O
SMILES:
O=C(c1cccc(-n2nccn2)c1F)N1C2CCC1(Nc1nccnc1C(F)(F)F)CC2
BIRTHDAY:
2018-12-03T02:40:17.409464
ATC:
G03A
GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:
C23H21ClN6O2
SMILES:
Cc1ccc(-c2noc([C@H]3CCN(C(=O)c4ccc(-n5nccn5)c(C)c4)C3)n2)cc1Cl
BIRTHDAY:
2018-12-03T02:40:17.440814
ATC:
N07C
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:
C22H25N7O
SMILES:
Cc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(-n2nccn2)c1
BIRTHDAY:
2018-11-30T03:42:13.585470
ATC:
L01B
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
ANTIMETABOLITES
Synthesis plan pending
FORMULA:
C20H24N2O5
SMILES:
COc1cccc(C(=O)N2CCC[C@@]23CCCN3[C@H]2OCC=CC(=O)O2)c1
BIRTHDAY:
2018-11-30T03:42:13.607063
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis plan pending
FORMULA:
C23H27N7O2
SMILES:
COc1c(C(=O)N2CC[C@@]3(CCCN3c3cnc(C)nc3C)C2)cccc1-n1nccn1
BIRTHDAY:
2018-11-30T03:42:13.639020
ATC:
L01A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
ALKYLATING AGENTS
Synthesis plan pending
FORMULA:
C23H27N7O
SMILES:
Cc1ncnc(C)c1N1CCC[C@]12CCCN2C(=O)c1cccc(-n2nccn2)c1C
BIRTHDAY:
2018-11-30T03:42:13.660864
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:
C23H22N6O3
SMILES:
COc1ccccc1-c1noc([C@H]2CCCN2C(=O)c2cc(C)ccc2-n2nccn2)n1
BIRTHDAY:
2018-11-30T03:42:13.706453
ATC:
S01F
SENSORY ORGANS
OPHTHALMOLOGICALS
MYDRIATICS AND CYCLOPLEGICS
Synthesis plan pending
FORMULA:
C27H28N2O2
SMILES:
COc1ccc2c(c1)[C@H]1CC[C@@]2(NC(=O)c2ccc(-c3ccccc3)cc2)CCNC1
BIRTHDAY:
2018-11-30T03:42:13.758408
ATC:
C02A
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis plan pending
FORMULA:
C23H21FN6O2
SMILES:
Cc1ccc(-c2nc([C@H]3CCN(C(=O)c4cccc(-n5nccn5)c4C)C3)no2)cc1F
BIRTHDAY:
2018-11-19T08:17:12.459220
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:
C23H21ClN6O2
SMILES:
Cc1cc(-c2nc([C@@H]3CCN(C(=O)c4cccc(-n5nccn5)c4C)C3)no2)ccc1Cl
BIRTHDAY:
2018-11-19T08:17:12.469705
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:
C24H24N6O3
SMILES:
COc1ccc(C)cc1-c1noc([C@@H]2CCCN2C(=O)c2c(C)cccc2-n2nccn2)n1
BIRTHDAY:
2018-11-19T08:17:12.481676
ATC:
J01C
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis plan pending
FORMULA:
C23H27N7O
SMILES:
Cc1cc(C(=O)N2CCC[C@@]23CCCN3c2c(C)ncnc2C)ccc1-n1nccn1
BIRTHDAY:
2018-11-19T08:17:12.492649
ATC:
C03X
CARDIOVASCULAR SYSTEM
DIURETICS
OTHER DIURETICS
Synthesis plan pending
FORMULA:
C25H22FN7O
SMILES:
O=C(c1cc(F)ccc1-n1nccn1)N1C[C@@H]2CN(c3nccc(-c4ccccc4)n3)C[C@H]2C1
BIRTHDAY:
2018-11-19T08:17:12.503732
ATC:
C01B
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
ANTIARRHYTHMICS, CLASS I AND III
Synthesis plan pending
FORMULA:
C23H22N6O3
SMILES:
COc1ccc(-c2nc([C@H]3CCN(C(=O)c4cccc(-n5nccn5)c4C)C3)no2)cc1
BIRTHDAY:
2018-11-19T08:17:12.524631
ATC:
R03D
RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis plan pending
FORMULA:
C25H24N4O5
SMILES:
CC1=C(c2ccccc2)C(=O)[C@H]2[C@H]1N(C(=O)c1cc(C)ccc1-n1nccn1)COCC2(O)O
BIRTHDAY:
2018-11-19T08:17:12.546417
ATC:
C02K
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
OTHER ANTIHYPERTENSIVES
Synthesis plan pending
FORMULA:
C26H24FN7O
SMILES:
O=C(c1cccc(-n2nccn2)c1F)N1CCC[C@]12CCCN2c1cnc(-c2ccccc2)nc1
BIRTHDAY:
2018-11-19T08:17:12.558972
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:
C31H38N6O2
SMILES:
Cc1cccc2c1N[C@](N)(CNC(=O)c1cccc(-c3ccccc3)c1)[C@@H]1CC(=O)[C@H](C1)NCCNCCN2
BIRTHDAY:
2018-11-19T08:17:12.570477
ATC:
J01D
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis plan pending
FORMULA:
C24H21F2N5O3S
SMILES:
Cc1cccc(C)c1C(=O)N1CCC[C@H]1c1noc([C@@H]2SC=NN2C(=O)c2cc(F)ccc2F)n1
BIRTHDAY:
2018-11-19T08:17:12.605286
ATC:
C08D
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis plan pending
FORMULA:
C23H21FN6O2
SMILES:
Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(F)c3C)no2)c1
BIRTHDAY:
2018-11-19T08:17:12.627451
ATC:
C01B
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
ANTIARRHYTHMICS, CLASS I AND III
Synthesis plan pending
FORMULA:
C22H18F2N6O2
SMILES:
Cc1ccc(-c2nc([C@@H]3CCN(C(=O)c4cccc(-n5nccn5)c4F)C3)no2)cc1F
BIRTHDAY:
2018-11-19T08:17:12.638197
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:
C23H27N7O
SMILES:
Cc1ncc(N2CCC[C@]23CCCN3C(=O)c2cccc(-n3nccn3)c2C)c(C)n1
BIRTHDAY:
2018-11-19T08:17:12.649476
ATC:
A07A
ALIMENTARY TRACT AND METABOLISM
ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
INTESTINAL ANTIINFECTIVES
Synthesis plan pending
FORMULA:
C31H31F3N6O2
SMILES:
N[C@@]1(c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)C(=O)CCN[C@]12CCCCN2c1cnc2c(n1)C=CCC2
BIRTHDAY:
2018-11-19T08:17:12.662662
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C22H25N7O
SMILES:
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CN(c4cnc(C)nc4C)C[C@H]3C2)c1
BIRTHDAY:
2018-11-19T08:17:12.682828
ATC:
V08C
VARIOUS
CONTRAST MEDIA
MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis plan pending
FORMULA:
C23H27N7O
SMILES:
Cc1ncnc(C)c1N1CCC[C@@]12CCCN2C(=O)c1cccc(-n2nccn2)c1C
BIRTHDAY:
2018-11-19T08:17:12.694094
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:
C22H24N6O
SMILES:
Cc1c(C(=O)N2CC[C@@H]3CC=[NH+][C@]32N2C[C@H]3C=[C-][C@H]2C3)cccc1-n1nccn1
BIRTHDAY:
2018-11-19T08:17:12.705841
ATC:
S01E
SENSORY ORGANS
OPHTHALMOLOGICALS
ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis plan pending
FORMULA:
C23H27N7O
SMILES:
Cc1cc(C(=O)N2CCC[C@]23CCCN3c2c(C)ncnc2C)ccc1-n1nccn1
BIRTHDAY:
2018-11-19T08:17:12.728008
ATC:
C03X
CARDIOVASCULAR SYSTEM
DIURETICS
OTHER DIURETICS
Synthesis plan pending
FORMULA:
C24H24N6O3
SMILES:
COc1ccc(-c2nc([C@@H]3CCN(C(=O)c4cccc(-n5nccn5)c4C)C3)no2)cc1C
BIRTHDAY:
2018-11-19T08:17:12.751058
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:
C24H24N6O3
SMILES:
COc1cc(C)ccc1-c1nc([C@H]2CCCN2C(=O)c2cc(C)ccc2-n2nccn2)no1
BIRTHDAY:
2018-11-19T08:17:12.762253
ATC:
A03A
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis plan pending
FORMULA:
C22H18F3N5O2
SMILES:
O=C(c1cc(F)c(F)cc1F)N1C[C@@H]2CN(c3n[nH]c(=O)cc3-c3cccnc3)C[C@@H]2C1
BIRTHDAY:
2018-11-19T08:17:12.773231
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:
C25H25F2N3O2
SMILES:
COc1ccccc1-c1noc([C@H]2CC[C@H]3CCCCC(c4ccc(F)c(F)c4)=CN32)n1
BIRTHDAY:
2018-11-19T08:17:12.783491
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C24H28N6O2
SMILES:
COc1cc(C(=O)N2CCC[C@@]23CCCN3c2c(C)ncnc2C)cc(-c2cn[nH]c2)c1
BIRTHDAY:
2018-11-19T08:17:12.794669
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:
C20H24F3NO4
SMILES:
Cc1cc(C)c(C(=O)N2CC[C@]3(C2)O[C@H]2C[C@@H](C(F)(F)F)C[C@H]3OO2)c(C)c1
BIRTHDAY:
2018-11-19T08:17:12.804221
ATC:
L01A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
ALKYLATING AGENTS
Synthesis plan pending
FORMULA:
C20H21FN6OS2
SMILES:
CNc1ccc(F)cc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C3=NCSS3)cn1)C2
BIRTHDAY:
2018-11-19T08:17:12.815800
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:
C24H24N6O3
SMILES:
COc1cc(C)ccc1-c1noc([C@@H]2CCCN2C(=O)c2cc(C)ccc2-n2nccn2)n1
BIRTHDAY:
2018-11-19T08:17:12.827590
ATC:
C01B
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
ANTIARRHYTHMICS, CLASS I AND III
Synthesis plan pending
FORMULA:
C26H24FN7O
SMILES:
O=C(c1cccc(-n2nccn2)c1F)N1CCC[C@]12CCCN2c1cncnc1-c1ccccc1
BIRTHDAY:
2018-11-19T08:17:12.852096
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:
C27H32N4O3
SMILES:
Cc1cc(C)c(C(=O)N2CC[C@H](c3nc([C@H]4CCNCc5cc(C)ccc5O4)no3)C2)c(C)c1
BIRTHDAY:
2018-11-19T08:17:12.862448
ATC:
A03A
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis plan pending
FORMULA:
C22H20FN9O2
SMILES:
O=C(c1ccc(F)c(-n2nccn2)c1)N1CCC[C@@]12CCCN2c1cnc(-c2cnon2)nc1
BIRTHDAY:
2018-11-19T08:17:12.887635
ATC:
C10B
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, COMBINATIONS
Synthesis plan pending
FORMULA:
C22H25N7O
SMILES:
Cc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)ncc4C)C[C@H]3C2)c(-n2nccn2)c1
BIRTHDAY:
2018-11-19T08:17:12.931809
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:
C22H25N7O2
SMILES:
COc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c1
BIRTHDAY:
2018-11-19T08:17:12.942803
ATC:
C01B
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
ANTIARRHYTHMICS, CLASS I AND III
Synthesis plan pending
FORMULA:
C23H21FN6O2
SMILES:
Cc1cc(-c2noc([C@@H]3CCN(C(=O)c4cccc(-n5nccn5)c4C)C3)n2)ccc1F
BIRTHDAY:
2018-11-19T08:17:12.953457
ATC:
N07C
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
ANTIVERTIGO PREPARATIONS
Synthesis plan pending
FORMULA:
C16H13F3N4O2S2
SMILES:
CC1=C(N)N2SO[C@H]3CN(C(=O)c4ccc(C#N)c(C(F)(F)F)c4)C[C@@]32S1
BIRTHDAY:
2018-11-30T17:24:33.475946
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C25H22FN7O
SMILES:
O=C(c1cc(F)ccc1-n1nccn1)N1C[C@@H]2CN(c3nccc(-c4ccccc4)n3)C[C@@H]2C1
BIRTHDAY:
2018-11-30T17:24:33.508511
ATC:
C01B
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:
C23H27N7O2
SMILES:
COc1c(C(=O)N2CCC[C@]23CCCN3c2c(C)ncnc2C)cccc1-n1nccn1
BIRTHDAY:
2018-11-30T17:24:33.520100
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C22H24FN7O
SMILES:
Cc1ncnc(C)c1N1CCC[C@@]12CCCN2C(=O)c1cccc(-n2nccn2)c1F
BIRTHDAY:
2018-11-30T17:24:33.542776
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C24H24N6O3
SMILES:
COc1cccc(-c2nc([C@H]3CCCN3C(=O)c3c(C)cccc3-n3nccn3)no2)c1C
BIRTHDAY:
2018-11-30T17:24:33.574586
ATC:
V08A
VARIOUS
CONTRAST MEDIA
X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:
C22H25N7O
SMILES:
Cc1cccc(C(=O)N2C[C@@H]3CN(c4c(C)ncnc4C)C[C@H]3C2)c1-n1nccn1
BIRTHDAY:
2018-11-30T17:24:33.629011
ATC:
N05B
NERVOUS SYSTEM
PSYCHOLEPTICS
ANXIOLYTICS
Synthesis Plan
FORMULA:
C29H31N3O3
SMILES:
COc1cccc(-c2nc([C@@H]3CCN(C(=O)c4cc(C)cc5c4[C@@H](C)[C@H]4C=CC[C@H]5C4)C3)no2)c1
BIRTHDAY:
2018-11-30T17:24:33.639040
ATC:
R05D
RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:
C22H22N6O2
SMILES:
Cc1c(C(=O)N[C@H](C)Cn2ncc(=O)c3c(C)cccc32)cccc1-n1nccn1
BIRTHDAY:
2018-12-02T16:07:42.719920
ATC:
L01A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
ALKYLATING AGENTS
Synthesis Plan
FORMULA:
C23H21ClN6O2
SMILES:
Cc1ccc(-c2noc([C@H]3CCN(C(=O)c4cccc(-n5nccn5)c4C)C3)n2)cc1Cl
BIRTHDAY:
2018-12-02T16:07:42.836187
ATC:
N07C
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:
C23H21ClN6O2
SMILES:
Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3C)no2)c(-n2nccn2)c1
BIRTHDAY:
2018-12-03T10:44:03.840897
ATC:
J01C
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:
C27H35N5O3S
SMILES:
CCC(=O)OC[C@H]1SC2=N[C@H]1CN(C(=O)c1cccc(C)c1)CCNCCCNCc1cccc2n1
BIRTHDAY:
2018-12-03T10:44:03.852127
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C23H21ClN6O2
SMILES:
Cc1ccc(Cl)c(-c2nc([C@@H]3CCN(C(=O)c4cc(-n5nccn5)ccc4C)C3)no2)c1
BIRTHDAY:
2018-12-03T10:44:03.862976
ATC:
C01D
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:
C22H25N7O
SMILES:
Cc1ncc(N2C[C@@H]3CN(C(=O)c4cccc(C)c4-n4nccn4)C[C@H]3C2)c(C)n1
BIRTHDAY:
2018-12-03T10:44:03.873118
ATC:
S01A
SENSORY ORGANS
OPHTHALMOLOGICALS
ANTIINFECTIVES
Synthesis Plan
FORMULA:
C23H26N6O2
SMILES:
COc1ccc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(-c2ccn[nH]2)c1
BIRTHDAY:
2018-12-03T10:44:03.930077
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C23H20FN7O2
SMILES:
O=C(c1c(F)cccc1-n1nccn1)N1C[C@@H]2CN(c3nccc(-c4ccco4)n3)C[C@@H]2C1
BIRTHDAY:
2018-12-03T10:44:03.941649
ATC:
B03A
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
IRON PREPARATIONS
Synthesis Plan
FORMULA:
C21H30N2O
SMILES:
CO[C@]12C=CC=C[C@]1(c1cccc(C)c1)[C@@H](N)CCCCCCN2
BIRTHDAY:
2018-12-03T10:44:03.960338
ATC:
C05C
CARDIOVASCULAR SYSTEM
VASOPROTECTIVES
CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:
C25H22FN7O
SMILES:
O=C(c1cc(F)cc(-n2nccn2)c1)N1CC[C@@H]2CCN(c3cncnc3-c3ccccc3)[C@H]21
BIRTHDAY:
2018-12-03T10:44:03.984654
ATC:
R06A
RESPIRATORY SYSTEM
ANTIHISTAMINES FOR SYSTEMIC USE
ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:
C23H27N7O2
SMILES:
COc1c(C(=O)N2CCC[C@]23CCCN3c2cnc(C)nc2C)cccc1-n1nccn1
BIRTHDAY:
2018-12-03T19:12:29.672498
ATC:
C09D
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:
C24H24N6O3
SMILES:
COc1ccc(C)cc1-c1nc([C@H]2CCCN2C(=O)c2cc(C)ccc2-n2nccn2)no1
BIRTHDAY:
2018-12-03T19:12:29.694750
ATC:
C05A
CARDIOVASCULAR SYSTEM
VASOPROTECTIVES
AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
Synthesis Plan
FORMULA:
C26H24FN7O
SMILES:
O=C(c1cccc(-n2nccn2)c1F)N1CCC[C@@]12CCCN2c1cncnc1-c1ccccc1
BIRTHDAY:
2018-12-03T19:12:29.751582
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C29H31N3O3
SMILES:
O=C1C[C@@H](c2ccccc2)CCN1Cc1ccc(C(=O)N2CCC[C@@H]2COc2cccnc2)cc1
BIRTHDAY:
2018-12-03T19:12:29.795081
ATC:
C03X
CARDIOVASCULAR SYSTEM
DIURETICS
OTHER DIURETICS
Synthesis Plan
FORMULA:
C25H25N3OS2
SMILES:
Cc1ccc2c(c1)SC[C@@]1(C=NC2)C(=O)S[C@H]2C=CC=C[C@H]2N[C@]1(N)c1ccccc1
BIRTHDAY:
2018-12-01T22:31:35.139842
ATC:
J01F
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:
C20H26F3N5O2S
SMILES:
CS(=O)(=O)NC1(Nc2c(NC3C[C@@H]4C=CC=C[C@@H]4C3)ncnc2C(F)(F)F)CCCC1
BIRTHDAY:
2018-12-01T22:31:35.172563
ATC:
R03D
RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:
C21H19FN4O2
SMILES:
CO[C@@H]1C=C2C(=O)NC(C#N)=C[C@]23CC=C(N2C=N[C@@H]4C=CC=C[C@]42F)[C@H]1C3
BIRTHDAY:
2018-12-01T22:31:35.236337
ATC:
A03F
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
PROPULSIVES
Synthesis Plan
