matter.farm
Computer-generated molecule database for public drug discovery.
About this project.
These compounds may interact with:
P67874
No disease data available for this receptor.
Unknown Action
FORMULA:
C20H17N9O2
SMILES:
N#Cc1ccccc1CNc1nc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1
BIRTHDAY:
2018-12-01T14:11:03.037584
ATC:
P03B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:
C21H21F2N7O2
SMILES:
C[C@@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1cccc(F)c1F
BIRTHDAY:
2018-12-01T14:11:03.048726
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C22H25N9O2
SMILES:
CN(C)C[C@@H](Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccccc1
BIRTHDAY:
2018-12-01T14:11:03.060048
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C21H22N8O2
SMILES:
Cc1ccc([C@@H](C)Nc2nc(NC3CC3)n3ncc(/C=C4/NC(=O)NC4=O)c3n2)cc1
BIRTHDAY:
2018-12-01T14:11:03.070742
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C20H18FN7O2
SMILES:
O=C1NC(=O)/C(=C\c2cnn3c(NC4CC4)cc(NCc4ccccc4F)nc23)N1
BIRTHDAY:
2018-12-01T14:11:03.081385
ATC:
J04A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIMYCOBACTERIALS
DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:
C19H19FN8O2
SMILES:
N[C@@H](c1ccc(F)cc1)N1c2c(C=C3NC(=O)C(=O)N3)n[nH]c2C=N[C@H]1NC1CC1
BIRTHDAY:
2018-12-01T14:11:03.092301
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C20H17FN8O2
SMILES:
N#Cc1c(F)cccc1NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@@]2(NC2CC2)N=C1
BIRTHDAY:
2018-12-01T14:11:03.103178
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C21H19F2N7O2
SMILES:
C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1cc(F)ccc1F
BIRTHDAY:
2018-12-01T14:11:03.114605
ATC:
R05C
RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis Plan
FORMULA:
C19H32N8O2
SMILES:
CC(=O)N[C@]1(NC2CC2)N=CC2=C(N[C@H]3CC(=O)[C@H](CNCCNCCN2)C3)N1
BIRTHDAY:
2018-12-01T14:11:03.125087
ATC:
G02A
GENITO URINARY SYSTEM AND SEX HORMONES
OTHER GYNECOLOGICALS
UTEROTONICS
Synthesis Plan
FORMULA:
C20H22N8O3
SMILES:
COc1cccc(CN[C@]2(NC3CC3)N=CN=C3C=C(C=C4NC(=O)C(=O)N4)NN32)c1
BIRTHDAY:
2018-12-01T14:11:03.135771
ATC:
G03B
GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
ANDROGENS
Synthesis Plan
FORMULA:
C23H35N7
SMILES:
CC(C)NC1=CN2NC(/C=C3/[C@H]4C[C@@H]5CCC[C@H]3N5[C@@H](N)C4)=C[C@@]2(NC2CC2)N=C1
BIRTHDAY:
2018-12-01T14:11:03.145942
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C24H29N9O3
SMILES:
C[C@H](NC(=O)c1ccccc1NC1=C2C=C(C=C3NC(=O)C(=O)N3)NN2[C@H](NC2CC2)N=C1)N(C)C
BIRTHDAY:
2018-12-01T14:11:03.158218
ATC:
C03B
CARDIOVASCULAR SYSTEM
DIURETICS
LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:
C20H17F2N7O2
SMILES:
O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(NCc4cc(F)ccc4F)nc23)N1
BIRTHDAY:
2018-12-01T14:11:03.169349
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C18H21N9O
SMILES:
CC(C)Nc1cc(NC2CC2)n2nc(/C=C3/NC(=O)N4N=NC=C[C@H]34)cc2n1
BIRTHDAY:
2018-12-01T14:11:03.179606
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C20H18N6O3
SMILES:
COc1cccc(-c2cc(NC3CC3)n3ncc(/C=C4/NC(=O)NC4=O)c3n2)c1
BIRTHDAY:
2018-12-01T14:11:03.189881
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C33H42Cl2N10O
SMILES:
CN(C)C[C@H](N[C@@]1(NC2CC2)N=CN=C2C=C(/C=C3\NC(=O)[C@]45CCC=CCCCCCC(=CN4)N35)NN21)c1c(Cl)cccc1Cl
BIRTHDAY:
2018-12-01T14:11:03.207627
ATC:
N05B
NERVOUS SYSTEM
PSYCHOLEPTICS
ANXIOLYTICS
Synthesis Plan
FORMULA:
C19H18F2N8O2
SMILES:
N[C@@H](c1cccc(F)c1F)N1c2[nH]nc(C=C3NC(=O)C(=O)N3)c2C=N[C@@H]1NC1CC1
BIRTHDAY:
2018-12-01T14:11:03.219397
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C22H25N9O2
SMILES:
CN(C)C[C@H](Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccccc1
BIRTHDAY:
2018-12-25T02:03:06.565215
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C21H20FN7O2
SMILES:
C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1cccc(F)c1
BIRTHDAY:
2018-12-25T02:03:06.575986
ATC:
C08C
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:
C20H22N8O3
SMILES:
COc1ccc([C@H](N)N2c3c(C=C4NC(=O)C(=O)N4)n[nH]c3C=N[C@@H]2NC2CC2)cc1
BIRTHDAY:
2018-12-25T02:03:06.587651
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C34H46N8O2
SMILES:
CC(C)Nc1nc(Nc2ccc3cc2CCN2CC[C@@H](C2)N(C)C[C@@H]2CCCC=CCN2Cc2cccc(c2)O3)[nH]c(=O)n1
BIRTHDAY:
2018-12-25T02:03:06.600683
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C24H27N9O3
SMILES:
CN(C)CCNC(=O)c1cccc(Nc2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1
BIRTHDAY:
2018-12-25T02:03:06.612599
ATC:
J04A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIMYCOBACTERIALS
DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:
C21H40N2O
SMILES:
CC1(C)CCCCNCCNC(=O)CCCC[C@H]2CCCCC[C@H]21
BIRTHDAY:
2018-12-25T02:03:06.619988
ATC:
M04A
MUSCULO-SKELETAL SYSTEM
ANTIGOUT PREPARATIONS
ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:
C24H29Cl2N7
SMILES:
CN(C)C[C@@H](N[C@]1(Nc2ccc(Cl)cc2)N=CN=C2CCCCN=CN21)c1cccc(Cl)c1
BIRTHDAY:
2018-12-25T02:03:06.631265
ATC:
R06A
RESPIRATORY SYSTEM
ANTIHISTAMINES FOR SYSTEMIC USE
ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:
C21H20FN7O2
SMILES:
C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1cccc(F)c1
BIRTHDAY:
2018-12-25T02:03:06.654778
ATC:
C08C
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:
C20H20F2N8O2
SMILES:
C[C@@H](N[C@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1cccc(F)c1F
BIRTHDAY:
2018-12-25T02:03:06.666580
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H19F2N7O2
SMILES:
C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1cc(F)ccc1F
BIRTHDAY:
2018-12-25T02:03:06.678100
ATC:
R05C
RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis Plan
FORMULA:
C22H25N9O2
SMILES:
CN(C)C[C@H](Nc1nc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1ccccc1
BIRTHDAY:
2018-12-25T02:03:06.689554
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C20H18N6O3
SMILES:
COc1ccc(-c2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)cc1
BIRTHDAY:
2018-12-25T02:03:06.699754
ATC:
C08C
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:
C22H26ClN9O2
SMILES:
CN(C)C[C@@H](N[C@@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1ccccc1Cl
BIRTHDAY:
2018-12-25T02:03:06.723334
ATC:
S01L
SENSORY ORGANS
OPHTHALMOLOGICALS
OCULAR VASCULAR DISORDER AGENTS
Synthesis Plan
FORMULA:
C20H20N6O3
SMILES:
COc1ccccc1[C@@]1(NC2CC2)N=CC=C2C=C(C=C3NC(=O)C(=O)N3)NN21
BIRTHDAY:
2018-12-25T02:03:06.733410
ATC:
M03A
MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANTS
MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:
C18H22FNO
SMILES:
O=C1CC2C[C@@H]3C[C@@H](C2)CC1(NCc1ccccc1F)C3
BIRTHDAY:
2018-12-25T02:03:06.740749
ATC:
J04A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIMYCOBACTERIALS
DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:
C20H19N9O2
SMILES:
N#Cc1cccc(CN[C@]2(NC3CC3)N=Cn3nc(C=C4NC(=O)C(=O)N4)cc3N2)c1
BIRTHDAY:
2018-12-03T02:39:10.083004
ATC:
B01A
BLOOD AND BLOOD FORMING ORGANS
ANTITHROMBOTIC AGENTS
ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:
C20H20N6O3
SMILES:
COc1ccc([C@]2(NC3CC3)N=CC=C3C(C=C4NC(=O)C(=O)N4)=CNN32)cc1
BIRTHDAY:
2018-12-03T02:39:10.092984
ATC:
H05A
SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
CALCIUM HOMEOSTASIS
PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:
C21H20FN7O2
SMILES:
C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1cccc(F)c1
BIRTHDAY:
2018-12-03T02:39:10.126587
ATC:
C08C
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:
C21H21F2N7O2
SMILES:
C[C@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@@]2(NC2CC2)N=C1)c1cccc(F)c1F
BIRTHDAY:
2018-12-03T02:39:10.137729
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C20H18F2N8O2
SMILES:
C[C@H](Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccc(F)cc1F
BIRTHDAY:
2018-12-03T02:39:10.149209
ATC:
J04A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIMYCOBACTERIALS
DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:
C21H19F2N7O2
SMILES:
C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1cc(F)ccc1F
BIRTHDAY:
2018-12-03T02:39:10.171860
ATC:
R05C
RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis Plan
FORMULA:
C20H19N9O2
SMILES:
N#Cc1cccc([C@@H](N)N2c3cc(C=C4NC(=O)C(=O)N4)nn3C=N[C@H]2NC2CC2)c1
BIRTHDAY:
2018-12-03T02:39:10.183505
ATC:
R07A
RESPIRATORY SYSTEM
OTHER RESPIRATORY SYSTEM PRODUCTS
OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:
C19H18F2N8O2
SMILES:
N[C@H](c1ccc(F)cc1F)N1C=c2[nH]nc(C=C3NC(=O)C(=O)N3)c2=N[C@@H]1NC1CC1
BIRTHDAY:
2018-12-03T02:39:10.206718
ATC:
H01B
SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:
C24H21N9O2
SMILES:
N#Cc1ccc(Nc2nc(N3C[C@H]4[C@H]5CC[C@H]4[C@H]3C5)nc3c(/C=C4\NC(=O)NC4=O)cnn23)cc1
BIRTHDAY:
2018-12-03T02:39:10.218572
ATC:
L01A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
ALKYLATING AGENTS
Synthesis Plan
FORMULA:
C19H20N8O2
SMILES:
c1ccc(-c2nc3nc(N[C@@]4(C5=NN=NC5)COCCCCO4)ncc3[nH]2)cc1
BIRTHDAY:
2018-12-03T02:39:10.229358
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C19H18F2N8O2
SMILES:
N[C@@H](c1ccc(F)c(F)c1)N1c2[nH]nc(C=C3NC(=O)C(=O)N3)c2C=N[C@@H]1NC1CC1
BIRTHDAY:
2018-11-30T03:41:07.197640
ATC:
C02B
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, GANGLION-BLOCKING
Synthesis plan pending
FORMULA:
C21H23FN8O
SMILES:
C[C@H](Nc1nc(NC2CC2)n2ncc(C3=NCCCC(=O)N3)c2n1)c1ccc(F)cc1
BIRTHDAY:
2018-11-30T03:41:07.208568
ATC:
V08A
VARIOUS
CONTRAST MEDIA
X-RAY CONTRAST MEDIA, IODINATED
Synthesis plan pending
FORMULA:
C20H19N9O2
SMILES:
N#Cc1cccc(CN[C@@]2(NC3CC3)N=Cn3nc(C=C4NC(=O)C(=O)N4)cc3N2)c1
BIRTHDAY:
2018-11-30T03:41:07.219613
ATC:
B01A
BLOOD AND BLOOD FORMING ORGANS
ANTITHROMBOTIC AGENTS
ANTITHROMBOTIC AGENTS
Synthesis plan pending
FORMULA:
C20H19N9O2
SMILES:
N#Cc1ccc(CN[C@]2(NC3CC3)N=Cn3nc(C=C4NC(=O)C(=O)N4)cc3N2)cc1
BIRTHDAY:
2018-11-30T03:41:07.230503
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:
C21H22FN7O2
SMILES:
C[C@@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1ccc(F)cc1
BIRTHDAY:
2018-11-30T03:41:07.241228
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:
C20H19N7O3
SMILES:
COc1ccccc1Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1
BIRTHDAY:
2018-11-30T03:41:07.251811
ATC:
C08C
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:
C16H10Cl2FN3O2
SMILES:
O=c1[nH]nc(-c2ccc(Cl)cc2)c(=O)n1Cc1cc(F)ccc1Cl
BIRTHDAY:
2018-11-30T03:41:07.282544
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:
C19H18F2N8O2
SMILES:
N[C@@H](c1ccc(F)c(F)c1)N1c2c(C=C3NC(=O)C(=O)N3)n[nH]c2C=N[C@H]1NC1CC1
BIRTHDAY:
2018-11-30T03:41:07.305250
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis plan pending
FORMULA:
C21H22FN7O2
SMILES:
C[C@@H](NC1=CN2NC=C[C@]2(C=C2NC(=O)C(=O)N2)N=C1NC1CC1)c1ccccc1F
BIRTHDAY:
2018-11-30T03:41:07.327422
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis plan pending
FORMULA:
C7H6N2O5S
SMILES:
O=C1NC(=C2C=CS(=O)(=O)OC2)NC1=O
BIRTHDAY:
2018-11-30T03:41:07.335113
ATC:
L01A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
ALKYLATING AGENTS
Synthesis plan pending
FORMULA:
C21H21F2N7O2
SMILES:
C[C@@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@]2(NC2CC2)N=C1)c1cccc(F)c1F
BIRTHDAY:
2018-11-30T03:41:07.346209
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis plan pending
FORMULA:
C18H21N3O4
SMILES:
CN(C)[C@@H]1OCN(c2cccc(C(N)=O)c2)Cc2cc(O)c(O)cc21
BIRTHDAY:
2018-11-30T03:41:07.354968
ATC:
G03D
GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
PROGESTOGENS
Synthesis plan pending
FORMULA:
C19H18F2N8O2
SMILES:
N[C@H](c1ccc(F)cc1F)N1CN=c2c(/C=C3\NC(=O)NC3=O)n[nH]c2=C1NC1CC1
BIRTHDAY:
2018-11-30T03:41:07.366512
ATC:
C03C
CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:
C19H18F2N8O2
SMILES:
N[C@H](c1ccc(F)c(F)c1)N1c2c(C=C3NC(=O)C(=O)N3)n[nH]c2C=N[C@H]1NC1CC1
BIRTHDAY:
2018-11-30T03:41:07.377848
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis plan pending
FORMULA:
C21H24N8O2
SMILES:
Cc1ccc([C@@H](C)N[C@@]2(NC3CC3)N=CN=C3C=C(/C=C4/NC(=O)NC4=O)NN32)cc1
BIRTHDAY:
2018-11-30T03:41:07.389590
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis plan pending
FORMULA:
C24H28N10O4
SMILES:
CN(C)C[C@@]1(Nc2nc(NC3CC3)n3ncc(/C=C4/NC(=O)NC4=O)c3n2)OCCNc2ccccc2O1
BIRTHDAY:
2018-11-19T08:13:14.807491
ATC:
A05B
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:
C21H22FN7O2
SMILES:
C[C@@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@@]2(NC2CC2)N=C1)c1ccccc1F
BIRTHDAY:
2018-11-19T08:13:14.818278
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C20H20F2N8O2
SMILES:
C[C@H](N[C@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1cccc(F)c1F
BIRTHDAY:
2018-11-19T08:13:14.840381
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C20H18F2N8O2
SMILES:
C[C@H](Nc1nc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1ccc(F)c(F)c1
BIRTHDAY:
2018-11-19T08:13:14.851823
ATC:
J04A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIMYCOBACTERIALS
DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:
C20H19F2N7O2
SMILES:
O=C1NC(=C[C@]23C=CNN2C(NC2CC2)=C(NCc2ccc(F)c(F)c2)C=N3)NC1=O
BIRTHDAY:
2018-11-19T08:13:14.862684
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C20H20F2N8O2
SMILES:
C[C@@H](N[C@@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1cccc(F)c1F
BIRTHDAY:
2018-11-19T08:13:14.874483
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C19H18ClNO4
SMILES:
O=C1NCCc2ccc(O)c(c2)OCC=CCOc2cccc(Cl)c21
BIRTHDAY:
2018-11-19T08:13:14.883113
ATC:
C01B
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:
C22H26N8O
SMILES:
Cc1ccc(C(=O)NCCN(C)C)cc1Nc1cc(NC2CC2)n2ncc(C#N)c2n1
BIRTHDAY:
2018-11-19T08:13:14.893262
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C24H28N10O2
SMILES:
NC1(N2c3cc(C=C4NC(=O)C(=O)N4)nn3C=N[C@H]2NCc2ccc3c(c2)[C@@H]2CN[C@@H](CN2)C3)CC1
BIRTHDAY:
2018-11-19T08:13:14.905736
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C20H17N9O2
SMILES:
N#Cc1ccccc1CNc1nc(NC2CC2)n2nc(/C=C3/NC(=O)NC3=O)cc2n1
BIRTHDAY:
2018-11-19T08:13:14.939071
ATC:
P03B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:
C21H22FN7O2
SMILES:
C[C@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1ccccc1F
BIRTHDAY:
2018-11-19T08:13:14.949804
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C21H22FN7O2
SMILES:
C[C@@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@@]2(NC2CC2)N=C1)c1ccccc1F
BIRTHDAY:
2018-11-19T08:13:14.960535
ATC:
H05A
SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
CALCIUM HOMEOSTASIS
PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:
C21H22FN7O2
SMILES:
C[C@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@]2(NC2CC2)N=C1)c1ccc(F)cc1
BIRTHDAY:
2018-11-19T08:13:14.971301
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C22H27N9O2
SMILES:
CN(C)C[C@H](N[C@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1ccccc1
BIRTHDAY:
2018-11-19T08:13:14.982763
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C20H19N9O2
SMILES:
N#Cc1ccc(CN[C@@]2(NC3CC3)N=Cn3nc(C=C4NC(=O)C(=O)N4)cc3N2)cc1
BIRTHDAY:
2018-11-19T08:13:14.993687
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C20H22N8O2
SMILES:
C[C@@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@@]2(NC2CC2)N=C1)c1cccnc1
BIRTHDAY:
2018-11-19T08:13:15.004314
ATC:
J01X
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:
C20H18F2N8O2
SMILES:
C[C@@H](Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccc(F)c(F)c1
BIRTHDAY:
2018-11-19T08:13:15.027358
ATC:
J04A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIMYCOBACTERIALS
DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:
C21H18N8O3
SMILES:
COc1ccc(C#N)cc1Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1
BIRTHDAY:
2018-11-19T08:13:15.038631
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:
C33H38N6O3S
SMILES:
COc1ccc(CNc2cc(NC3CC3)n3ncc(/C=C4\CC(=O)Nc5ccc(cc5)CCCOCCCS4)c3n2)cc1
BIRTHDAY:
2018-11-19T08:13:15.051482
ATC:
V08A
VARIOUS
CONTRAST MEDIA
X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:
C20H20N8O2
SMILES:
C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccccn1
BIRTHDAY:
2018-11-19T08:13:15.073148
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:
C19H19N7O3
SMILES:
COc1ccc([C@H]2N=Cc3[nH]nc(C=C4NC(=O)C(=O)N4)c3N2C2(N)CC2)cc1
BIRTHDAY:
2018-11-19T08:13:15.094256
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C21H21F2N7O2
SMILES:
C[C@@H](NC1=C2C=C(C=C3NC(=O)C(=O)N3)NN2[C@@H](NC2CC2)N=C1)c1cccc(F)c1F
BIRTHDAY:
2018-11-19T08:13:15.105440
ATC:
J01C
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:
C21H24N8O2
SMILES:
Cc1ccccc1[C@@H](C)N[C@@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21
BIRTHDAY:
2018-11-19T08:13:15.116861
ATC:
A11H
ALIMENTARY TRACT AND METABOLISM
VITAMINS
OTHER PLAIN VITAMIN PREPARATIONS
Synthesis Plan
FORMULA:
C22H27N9O2
SMILES:
CN(C)C[C@@H](N[C@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1ccccc1
BIRTHDAY:
2018-11-19T08:13:15.128333
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C21H20FN7O2
SMILES:
C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1cccc(F)c1
BIRTHDAY:
2018-11-19T08:13:15.149791
ATC:
C08C
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:
C21H24N8O2
SMILES:
Cc1cnccc1[C@H](C)NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@@]2(NC2CC2)N=C1
BIRTHDAY:
2018-11-19T08:13:15.160528
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C22H27N9O2
SMILES:
CN(C)C[C@@H](NC1=N[C@]2(NC3CC3)C(/C=C3\NC(=O)NC3=O)=CNN2C=N1)c1ccccc1
BIRTHDAY:
2018-11-19T08:13:15.182702
ATC:
J04A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIMYCOBACTERIALS
DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:
C20H19N9O2
SMILES:
N#Cc1cccc(CN[C@]2(NC3CC3)N=Cn3nc(/C=C4/NC(=O)NC4=O)cc3N2)c1
BIRTHDAY:
2018-11-19T08:13:15.193740
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:
C20H20F2N8O2
SMILES:
C[C@@H](N[C@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1cc(F)cc(F)c1
BIRTHDAY:
2018-11-19T08:13:15.205498
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C21H27N9O2
SMILES:
CC1(Nc2nc(N[C@H]3CN4CCC[C@H]3C4)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)CCC1
BIRTHDAY:
2018-11-19T08:13:15.216863
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C16H21NO2
SMILES:
C[C@]12C=CC=C[C@@]1(C(=O)NC1CC1)C=CCCOC2
BIRTHDAY:
2018-11-19T08:13:15.235436
ATC:
A11H
ALIMENTARY TRACT AND METABOLISM
VITAMINS
OTHER PLAIN VITAMIN PREPARATIONS
Synthesis Plan
FORMULA:
C21H21F2N7O2
SMILES:
C[C@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1c(F)cccc1F
BIRTHDAY:
2018-11-19T08:13:15.258710
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C21H24N8O2
SMILES:
Cc1ccccc1[C@@H](C)N[C@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21
BIRTHDAY:
2018-11-19T08:13:15.270098
ATC:
A11H
ALIMENTARY TRACT AND METABOLISM
VITAMINS
OTHER PLAIN VITAMIN PREPARATIONS
Synthesis Plan
FORMULA:
C21H22FN7O2
SMILES:
C[C@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1ccc(F)cc1
BIRTHDAY:
2018-11-19T08:13:15.292515
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C24H27N9O3
SMILES:
CN(C)CCNC(=O)c1cccc(Nc2cc(NC3CC3)n3ncc(/C=C4/NC(=O)NC4=O)c3n2)c1
BIRTHDAY:
2018-11-19T08:13:15.304389
ATC:
J04A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIMYCOBACTERIALS
DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:
C20H20N8O3
SMILES:
COc1ccccc1CNc1nc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1
BIRTHDAY:
2018-11-19T08:13:15.315499
ATC:
A05B
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:
C21H22FN7O2
SMILES:
C[C@@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@]2(NC2CC2)N=C1)c1ccc(F)cc1
BIRTHDAY:
2018-11-19T08:13:15.337031
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C20H19F3N10O
SMILES:
CC(C)N[C@]12N=Cc3c(n([C@@H]4CCN4C(F)(F)F)nnc3=O)N1NC=C2c1ncccc1C#N
BIRTHDAY:
2018-11-19T08:13:15.360738
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C19H18F2N8O2
SMILES:
N[C@H](c1ccc(F)cc1F)N1c2c(C=C3NC(=O)C(=O)N3)n[nH]c2C=N[C@@H]1NC1CC1
BIRTHDAY:
2018-11-19T08:13:15.372532
ATC:
C09C
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:
C21H19F2N7O2
SMILES:
C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1cc(F)ccc1F
BIRTHDAY:
2018-11-19T08:13:15.395522
ATC:
R05C
RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis Plan
FORMULA:
C36H37N11O4
SMILES:
C[C@@H](N[C@]1(NC2CC2)N=CC=C2C(C=C3NC(=O)C(=O)N3)=CNN21)c1cc2nc(n1)Nc1cccc(c1)COCC=CCCOc1cc-2ccn1
BIRTHDAY:
2018-11-19T08:13:15.411541
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C27H33N11O3S
SMILES:
COc1cccc(CN[C@]2(NC3CC3)N=CN=C3C(/C=C4/C(=O)N5NCSC(=O)[C@]56[C@@H]5CC[C@](N)(CN5)N46)=CNN32)c1
BIRTHDAY:
2018-11-19T08:13:15.425778
ATC:
C02A
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:
C20H17F2N7O2
SMILES:
O=C1NC(=O)/C(=C\c2cnn3c(NC4CC4)cc(NCc4cc(F)ccc4F)nc23)N1
BIRTHDAY:
2018-11-19T08:13:15.437031
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C20H22N8O3
SMILES:
COc1ccc([C@@H](N)N2c3c(C=C4NC(=O)C(=O)N4)n[nH]c3C=N[C@H]2NC2CC2)cc1
BIRTHDAY:
2018-11-19T08:13:15.448578
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C24H32N6O5
SMILES:
CC(C)[C@@H](NC1=CN2NC=C(/C=C3/CCOC(=O)C3=O)[C@@]2(NC2CC2)N=C1)C(=O)N1CCOCC1
BIRTHDAY:
2018-11-19T08:13:15.460002
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C21H21F2N7O2
SMILES:
C[C@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@]2(NC2CC2)N=C1)c1cccc(F)c1F
BIRTHDAY:
2018-11-19T08:13:15.471229
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C22H27N9O2
SMILES:
CN(C)C[C@H](N[C@@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1ccccc1
BIRTHDAY:
2018-11-19T08:13:15.482671
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C20H20N8O2
SMILES:
C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1ccccn1
BIRTHDAY:
2018-11-19T08:13:15.493326
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:
C21H21F2N7O2
SMILES:
C[C@H](NC1=C2C=C(C=C3NC(=O)C(=O)N3)NN2[C@@H](NC2CC2)N=C1)c1c(F)cccc1F
BIRTHDAY:
2018-11-19T08:13:15.504785
ATC:
J01C
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:
C19H19FN8O2
SMILES:
N[C@H](c1ccc(F)cc1)N1c2c(C=C3NC(=O)C(=O)N3)n[nH]c2C=N[C@@H]1NC1CC1
BIRTHDAY:
2018-11-30T17:23:28.986646
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C21H22FN7O2
SMILES:
C[C@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@@]2(NC2CC2)N=C1)c1ccc(F)cc1
BIRTHDAY:
2018-11-30T17:23:28.998123
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C20H20N6O3
SMILES:
COc1ccccc1[C@]1(NC2CC2)N=CC=C2C=C(C=C3NC(=O)C(=O)N3)NN21
BIRTHDAY:
2018-11-30T17:23:29.018657
ATC:
M03A
MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANTS
MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:
C20H20F2N8O2
SMILES:
C[C@H](N[C@@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1cccc(F)c1F
BIRTHDAY:
2018-11-30T17:23:29.041932
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C20H16F3N7O2
SMILES:
O=C1NC(=O)/C(=C\c2cnn3c(NC4CC4)cc(Nc4cccc(C(F)(F)F)c4)nc23)N1
BIRTHDAY:
2018-11-30T17:23:29.074909
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C22H27N9O2
SMILES:
CN(C)C[C@@H](N[C@@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1ccccc1
BIRTHDAY:
2018-11-30T17:23:29.086230
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C21H21F2N7O2
SMILES:
C[C@@H](NC1=C(NC2CC2)N2NC(/C=C3/NC(=O)NC3=O)=C[C@@H]2N=C1)c1cc(F)ccc1F
BIRTHDAY:
2018-11-30T17:23:29.097420
ATC:
R05C
RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis Plan
FORMULA:
C20H21FN8O2
SMILES:
C[C@@H](N[C@@H]1N=c2c(C=C3NC(=O)C(=O)N3)n[nH]c2=CN1C1(N)CC1)c1ccccc1F
BIRTHDAY:
2018-11-30T17:23:29.108539
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C36H38N10O3S
SMILES:
CN(C)[C@]1([C@]2(O)Cc3cncc(c3)Nc3nccc(n3)NCc3cccc2c3)NCCNCOCC(=O)Sc2cc(ncn2)-c2cccc1c2
BIRTHDAY:
2018-11-30T17:23:29.136439
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C20H21N7O3
SMILES:
COc1ccc(NC2=CN3NC(C=C4NC(=O)C(=O)N4)=C[C@@]3(NC3CC3)N=C2)cc1
BIRTHDAY:
2018-11-30T17:23:29.146801
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C16H23N9O2
SMILES:
CN(C)[C@](C)(N)N1c2[nH]nc(C=C3NC(=O)C(=O)N3)c2C=N[C@H]1NC1CC1
BIRTHDAY:
2018-11-30T17:23:29.179934
ATC:
C09D
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:
C29H34ClN3O3
SMILES:
CN(C)C[C@@H](c1ccccc1Cl)N1CC(=O)c2cc(CO)cc(c2)OCCNCc2cccc(c2)C1
BIRTHDAY:
2018-11-30T17:23:29.190477
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C30H37N9O3
SMILES:
C[C@H](NC(=O)c1ccccc1NC1=CN2NC(/C=C3\NC(=O)[C@@]4(C=C[C@H]5CC[C@@H]4O5)N3)=C[C@@]2(NC2CC2)N=C1)N(C)C
BIRTHDAY:
2018-12-02T16:06:37.092385
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C21H24N8O2
SMILES:
Cc1ccccc1[C@H](C)N[C@@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21
BIRTHDAY:
2018-12-02T16:06:37.126539
ATC:
A11H
ALIMENTARY TRACT AND METABOLISM
VITAMINS
OTHER PLAIN VITAMIN PREPARATIONS
Synthesis Plan
FORMULA:
C21H21F2N7O2
SMILES:
C[C@H](N[C@]1(NC2CC2)N=CC=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1cc(F)cc(F)c1
BIRTHDAY:
2018-12-02T16:06:37.170477
ATC:
C02A
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:
C21H20N8O3
SMILES:
COc1cc(NC2=CN3NC=C(C=C4NC(=O)C(=O)N4)[C@@]3(NC3CC3)N=C2)ccc1C#N
BIRTHDAY:
2018-12-02T16:06:37.235994
ATC:
J01X
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:
C22H25N9O2
SMILES:
CN(C)C[C@@H](Nc1nc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1ccccc1
BIRTHDAY:
2018-12-03T10:42:58.915029
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C19H18F2N8O2
SMILES:
N[C@H](c1ccc(F)c(F)c1)N1c2c(C=C3NC(=O)C(=O)N3)n[nH]c2C=N[C@@H]1NC1CC1
BIRTHDAY:
2018-12-03T10:42:58.937309
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C18H21FN6OSi
SMILES:
O=C1CNC2=C(NN3C=C(NCc4ccccc4F)C=N[C@@]23NC2CC2)[SiH2]1
BIRTHDAY:
2018-12-03T10:42:58.947103
ATC:
C09A
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:
C20H18F2N8O2
SMILES:
C[C@@H](Nc1nc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1cc(F)cc(F)c1
BIRTHDAY:
2018-12-03T10:42:59.003780
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C21H22N8O2
SMILES:
Cc1ccc([C@H](C)Nc2nc(NC3CC3)n3ncc(/C=C4/NC(=O)NC4=O)c3n2)cc1
BIRTHDAY:
2018-12-03T10:42:59.036752
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C21H18N8O3
SMILES:
COc1ccc(C#N)cc1Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1
BIRTHDAY:
2018-12-03T10:42:59.048028
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:
C24H29N9O3
SMILES:
C[C@@H](NC(=O)c1ccccc1NC1=C2C=C(C=C3NC(=O)C(=O)N3)NN2[C@@H](NC2CC2)N=C1)N(C)C
BIRTHDAY:
2018-12-03T10:42:59.060415
ATC:
C03B
CARDIOVASCULAR SYSTEM
DIURETICS
LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:
C21H22N8O2
SMILES:
Cc1cccc([C@H](C)Nc2cc(NC3CC3)n3ncc(/C=C4/NC(=O)NC4=O)c3n2)n1
BIRTHDAY:
2018-12-03T19:11:23.940356
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C20H20N8O3
SMILES:
COc1ccc(CNc2nc(NC3CC3)nc3cc(/C=C4\NC(=O)NC4=O)nn23)cc1
BIRTHDAY:
2018-12-03T19:11:23.998734
ATC:
A05A
ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Synthesis Plan
FORMULA:
C19H23N9O2
SMILES:
N#C[C@]12C=CC=C[C@@H]1NCCNc1c(n[nH]c1C=C1NC(=O)C(=O)N1)NCCNC2
BIRTHDAY:
2018-12-03T19:11:24.009618
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C19H19N7O3
SMILES:
COc1ccccc1C1=NCN(C2(N)CC2)c2[nH]nc(C=C3NC(=O)C(=O)N3)c21
BIRTHDAY:
2018-12-03T19:11:24.053148
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C21H20FN7O2
SMILES:
C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccc(F)cc1
BIRTHDAY:
2018-12-03T19:11:24.064066
ATC:
N05C
NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:
C24H29N9O3
SMILES:
C[C@@H](NC(=O)c1ccc(NC2=C3C=C(C=C4NC(=O)C(=O)N4)NN3[C@H](NC3CC3)N=C2)cc1)N(C)C
BIRTHDAY:
2018-12-03T19:11:24.076000
ATC:
C03B
CARDIOVASCULAR SYSTEM
DIURETICS
LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:
C21H24N8O2
SMILES:
Cc1cccc([C@H](C)N[C@]2(NC3CC3)N=CN=C3C=C(C=C4NC(=O)C(=O)N4)NN32)c1
BIRTHDAY:
2018-12-01T22:30:28.994886
ATC:
B03B
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:
C20H20N8O2
SMILES:
C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1cccnc1
BIRTHDAY:
2018-12-01T22:30:29.016812
ATC:
C08C
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:
C20H20F2N8O2
SMILES:
C[C@H](N[C@@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1cc(F)cc(F)c1
BIRTHDAY:
2018-12-01T22:30:29.050181
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C21H26N8S
SMILES:
CC(C)NC1=N[C@@]2(CCSCC=N2)N2NC=C(Nc3ccnc4c3C=CCC4)C2=N1
BIRTHDAY:
2018-12-01T22:30:29.094129
ATC:
P01A
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Synthesis Plan
FORMULA:
C19H18F2N8O2
SMILES:
N[C@H](c1cc(F)cc(F)c1)N1C=c2[nH]nc(C=C3NC(=O)C(=O)N3)c2=N[C@@H]1NC1CC1
BIRTHDAY:
2018-12-01T22:30:29.137861
ATC:
S01L
SENSORY ORGANS
OPHTHALMOLOGICALS
OCULAR VASCULAR DISORDER AGENTS
Synthesis Plan
FORMULA:
C20H19N9O2
SMILES:
N#Cc1cccc(CN[C@]2(NC3CC3)NC=Nc3c(/C=C4\NC(=O)NC4=O)cnn32)c1
BIRTHDAY:
2018-12-01T22:30:29.148688
ATC:
C08E
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan