matter.farm
Computer-generated molecule database for public drug discovery.
About this project.
These compounds may interact with:
Serine/threonine-protein kinase pim-3
Potentially involved in
: cancer
Disease data sourced from
Pharos
.
Inhibitor
FORMULA:
C22H17FN4
SMILES:
Fc1cccc(-c2ccncc2-c2ccc(NCc3ccccn3)nc2)c1
BIRTHDAY:
2018-12-01T14:10:49.908422
ATC:
A07B
ALIMENTARY TRACT AND METABOLISM
ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:
C24H28N6O
SMILES:
CNC(=O)c1ccccc1Nc1ccccc1-c1nccc([C@@]2(N)CCCCN2)c1N
BIRTHDAY:
2018-12-01T14:10:49.918257
ATC:
V08C
VARIOUS
CONTRAST MEDIA
MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:
C21H22N8
SMILES:
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@@H](N)C3)n2)n1
BIRTHDAY:
2018-12-01T14:10:49.927968
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C24H33N7O
SMILES:
CC(C)Nc1c2c(nc3c(-c4[nH]ncc4N4CCCC[C@@H]4N)c[nH]c13)CCC(=O)C2(C)C
BIRTHDAY:
2018-12-01T14:10:49.938011
ATC:
L01C
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:
C20H24N8O
SMILES:
CC(C)Nc1cncc(-c2cncnc2Nc2ccc(N3CCOCC3)nc2)n1
BIRTHDAY:
2018-12-01T14:10:49.947641
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C20H20F2N6OS
SMILES:
Nc1nc(-c2cc(F)cc(F)c2)c(C(=O)Nc2ccnc(N3CCCC[C@H]3N)c2)s1
BIRTHDAY:
2018-12-01T14:10:49.957924
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C27H21FN6O3
SMILES:
COc1ccc(-c2cccc(-c3cnc(N)c(-c4noc([C@@H](C(N)=O)c5ccc(F)cc5)n4)c3)n2)cc1
BIRTHDAY:
2018-12-01T14:10:49.969420
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C22H25N3O3
SMILES:
COc1cccc(NC(=O)c2ccnc(-c3cocc3C)c2N)c1C(C)(C)C
BIRTHDAY:
2018-12-01T14:10:49.978271
ATC:
C03X
CARDIOVASCULAR SYSTEM
DIURETICS
OTHER DIURETICS
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@@H]1CCCC[C@]1(N)c1ccc(NC(=O)c2c(F)cncc2-c2cc(F)cc(F)c2)cn1
BIRTHDAY:
2018-12-01T14:10:49.988374
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C22H26N6O
SMILES:
CC1(N[C@@H]2CCN2[C@@H]2CN=Cc3c(C4=C[C@H]5N=CO[C@]5(N)C=C4)ccnc32)CC1
BIRTHDAY:
2018-12-01T14:10:49.997879
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C22H21F2N5O3
SMILES:
Cc1cccnc1Oc1cncc(NC(=O)Nc2c(F)cccc2F)c1C(=O)NC(C)C
BIRTHDAY:
2018-12-01T14:10:50.008517
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C19H22F3N5O2
SMILES:
COc1ccccc1Nc1cncc(C(F)(F)F)c1C(=O)N[C@]1(N)CCCCN1
BIRTHDAY:
2018-12-01T14:10:50.018577
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C25H31N5O
SMILES:
CC(C)(C)c1ccccc1-c1[nH]ncc1-c1ccccc1C(=O)N[C@@]1(N)CCCCN1
BIRTHDAY:
2018-12-01T14:10:50.028074
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@H]1C[C@@H](N)C[C@H](c2cccc(NC(=O)c3cnc(-c4cccc(F)c4F)cc3F)n2)C1
BIRTHDAY:
2018-12-01T14:10:50.037990
ATC:
D01A
DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C21H25FN6O
SMILES:
CNc1ccncc1-c1[nH]c(C(=O)NC(C)(C)N(C)C)nc1-c1ccccc1F
BIRTHDAY:
2018-12-01T14:10:50.047659
ATC:
M05B
MUSCULO-SKELETAL SYSTEM
DRUGS FOR TREATMENT OF BONE DISEASES
DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:
C18H26N6O
SMILES:
CC(C)Nc1cncc(-c2cccnc2N[C@H]2CNCC[C@H]2CO)n1
BIRTHDAY:
2018-12-25T02:02:52.814184
ATC:
R06A
RESPIRATORY SYSTEM
ANTIHISTAMINES FOR SYSTEMIC USE
ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:
C34H34FN11O
SMILES:
CC(C)Nc1cncc(C(=O)NC[C@@H](F)c2ccc3cc2C=Cc2cccc(c2)Nc2nccc(n2)N3)c1N1N=C[C@H]2C=NN[C@@]21C
BIRTHDAY:
2018-12-25T02:02:52.828870
ATC:
G01A
GENITO URINARY SYSTEM AND SEX HORMONES
GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:
C17H19F2N3
SMILES:
Nc1cccc([C@H]2[C@H](N)[C@@H]2[C@H](N)Cc2cc(F)ccc2F)c1
BIRTHDAY:
2018-12-25T02:02:52.837098
ATC:
P03A
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis Plan
FORMULA:
C25H29N5O
SMILES:
CNC(=O)c1cccc(Nc2cccc(-c3cc(C4CCN(C)CC4)cnc3N)c2)c1
BIRTHDAY:
2018-12-25T02:02:52.846344
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C21H30N6O
SMILES:
CC(C)(C)c1ccccc1-c1c(N)cncc1C(=O)N[C@H]1NCCCC1(N)N
BIRTHDAY:
2018-12-25T02:02:52.866465
ATC:
C03X
CARDIOVASCULAR SYSTEM
DIURETICS
OTHER DIURETICS
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@@H]1CCCC[C@@]1(N)c1ccc(NC(=O)c2c(F)cncc2-c2cc(F)cc(F)c2)cn1
BIRTHDAY:
2018-12-25T02:02:52.876760
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C20H20F2N6OS
SMILES:
Nc1nc(-c2ccc(F)c(F)c2)c(C(=O)Nc2ccnc(N3CCCC[C@@H]3N)c2)s1
BIRTHDAY:
2018-12-25T02:02:52.887270
ATC:
G02A
GENITO URINARY SYSTEM AND SEX HORMONES
OTHER GYNECOLOGICALS
UTEROTONICS
Synthesis Plan
FORMULA:
C22H17FN4
SMILES:
Fc1ccccc1-c1cncc(-c2ccc(NCc3ccccn3)cn2)c1
BIRTHDAY:
2018-12-25T02:02:52.895712
ATC:
A07A
ALIMENTARY TRACT AND METABOLISM
ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:
C20H23FN6O
SMILES:
CN(C)C(C)(C)NC(=O)c1nc(-c2ccccc2F)c(-c2cnccc2N)[nH]1
BIRTHDAY:
2018-12-25T02:02:52.905359
ATC:
C05B
CARDIOVASCULAR SYSTEM
VASOPROTECTIVES
ANTIVARICOSE THERAPY
Synthesis Plan
FORMULA:
C20H17N5OS
SMILES:
COc1cccc(-c2c(N)nc(C#N)c3c2s[nH]c2ccccc2n3C)c1
BIRTHDAY:
2018-12-25T02:02:52.914857
ATC:
V09A
VARIOUS
DIAGNOSTIC RADIOPHARMACEUTICALS
CENTRAL NERVOUS SYSTEM
Synthesis Plan
FORMULA:
C20H25F2N3O
SMILES:
COc1ccc(N[C@@H](Cc2cc(F)ccc2F)[C@H]2CCC[C@H](N)C2)cn1
BIRTHDAY:
2018-12-25T02:02:52.923340
ATC:
J01E
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
SULFONAMIDES AND TRIMETHOPRIM
Synthesis Plan
FORMULA:
C22H24N6O
SMILES:
NC(=O)c1cccc(Nc2cccc(-c3nc(C4CCNCC4)cnc3N)c2)c1
BIRTHDAY:
2018-12-25T02:02:52.932677
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C20H20F2N6OS
SMILES:
Nc1nc(-c2cc(F)cc(F)c2)c(C(=O)Nc2ccc(N3CCCC[C@H]3N)nc2)s1
BIRTHDAY:
2018-12-25T02:02:52.943233
ATC:
P01B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
ANTIMALARIALS
Synthesis Plan
FORMULA:
C22H26F2N6O3
SMILES:
CC(C)(NC(=O)c1ccncc1NC(=O)Nc1c(F)cccc1F)C(=O)N[C@@H]1CCCCN1
BIRTHDAY:
2018-12-25T02:02:52.954264
ATC:
G01A
GENITO URINARY SYSTEM AND SEX HORMONES
GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:
C22H22N6O
SMILES:
Nc1nc2cc(-c3ccc4ncc(N5CC(NCC6CC6)C5)cc4n3)ccc2o1
BIRTHDAY:
2018-12-25T02:02:52.963661
ATC:
N04A
NERVOUS SYSTEM
ANTI-PARKINSON DRUGS
ANTICHOLINERGIC AGENTS
Synthesis Plan
FORMULA:
C20H20F2N6OS
SMILES:
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1N1CCC(N)CC1
BIRTHDAY:
2018-12-25T02:02:52.974479
ATC:
A12A
ALIMENTARY TRACT AND METABOLISM
MINERAL SUPPLEMENTS
CALCIUM
Synthesis Plan
FORMULA:
C23H26N4O5
SMILES:
COc1ccc(NC(=O)c2ccc(-c3cc4c(o3)CCN(CCO)C4)nc2N)cc1OC
BIRTHDAY:
2018-12-25T02:02:52.984514
ATC:
V10A
VARIOUS
THERAPEUTIC RADIOPHARMACEUTICALS
ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:
C16H19F2N5O
SMILES:
CC(C)Nc1nccnc1[C@]1(c2cc(F)cc(F)c2)CNO[C@H]1N
BIRTHDAY:
2018-12-25T02:02:53.004581
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@@H]1CCCC[C@]1(N)c1ccncc1NC(=O)c1nc(-c2c(F)cccc2F)ccc1F
BIRTHDAY:
2018-12-03T02:38:56.416720
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C23H24F2N4O
SMILES:
CN(C)C(C)(C)c1ccccc1Nc1ccncc1C(=O)Nc1cc(F)cc(F)c1
BIRTHDAY:
2018-12-03T02:38:56.426484
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C22H25N5O
SMILES:
COc1ccc(Nc2cccc(-c3cccc(NC4CCNCC4)n3)n2)cc1
BIRTHDAY:
2018-12-03T02:38:56.435118
ATC:
M04A
MUSCULO-SKELETAL SYSTEM
ANTIGOUT PREPARATIONS
ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:
C27H20F2N4O4
SMILES:
COc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(F)cn2)cc1
BIRTHDAY:
2018-12-03T02:38:56.446936
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C22H26N6O
SMILES:
CC1(N[C@@H]2CCN2[C@H]2CN=Cc3c([C@]45C=CC=C[C@]4(N)OC=N5)ccnc32)CC1
BIRTHDAY:
2018-12-03T02:38:56.456717
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C22H17FN4
SMILES:
Fc1ccc(-c2cc(-c3ccnc(NCc4cccnc4)c3)ccn2)cc1
BIRTHDAY:
2018-12-03T02:38:56.465064
ATC:
C04A
CARDIOVASCULAR SYSTEM
PERIPHERAL VASODILATORS
PERIPHERAL VASODILATORS
Synthesis Plan
FORMULA:
C23H24N4O5
SMILES:
COc1ccc(NC(=O)c2cc(-c3cc4c(o3)C=CCN4[C@@H](C)O)cnc2N)cc1OC
BIRTHDAY:
2018-12-03T02:38:56.475339
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C20H19N7
SMILES:
c1ccc(-n2ncc3cnc(-c4ccc(N5CCNCC5)nc4)cc32)nc1
BIRTHDAY:
2018-12-03T02:38:56.484898
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C17H20F2N4O
SMILES:
CN(C)C(C)(C)NC(=O)c1ccnc(-c2cccc(F)c2F)c1N
BIRTHDAY:
2018-12-03T02:38:56.504344
ATC:
G03A
GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@]1(N)CCCC[C@@H]1c1ccc(NC(=O)c2cc(F)c(-c3ccc(F)c(F)c3)cn2)cn1
BIRTHDAY:
2018-12-03T02:38:56.546125
ATC:
C02A
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:
C30H37N5O2
SMILES:
CCN(O)[C@H](C(C)C)[C@]1(C)C=CN(Cc2ccoc2)C2=C1[C@@H](c1ccnn1[C@H](C)c1ccccc1)N=C2
BIRTHDAY:
2018-12-03T02:38:56.576794
ATC:
C01B
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:
C19H22N2O
SMILES:
CC(C)C1=CC(=O)c2c(-c3ccccc3C(C)(C)C)n[nH]c21
BIRTHDAY:
2018-12-03T02:38:56.586867
ATC:
C09D
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:
C19H22FN5O2S
SMILES:
N[C@@H]1CCCCN1c1cc(NC(=O)[C@]23C=CC=C[C@]2(F)NC=COS3)ccn1
BIRTHDAY:
2018-12-03T02:38:56.600759
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C20H20F2N6OS
SMILES:
Nc1nc(C(=O)Nc2ccc(N3CCCC[C@H]3N)nc2)sc1-c1cc(F)cc(F)c1
BIRTHDAY:
2018-12-03T02:38:56.615038
ATC:
P01B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
ANTIMALARIALS
Synthesis Plan
FORMULA:
C21H23F2N5
SMILES:
CN(C)CCCc1cccc(Nc2ncc(F)c(Nc3ccccc3F)n2)c1
BIRTHDAY:
2018-11-30T03:40:53.797940
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C22H17FN4
SMILES:
Fc1cccc(-c2cccnc2-c2ccc(NCc3ccccn3)nc2)c1
BIRTHDAY:
2018-11-30T03:40:53.806566
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C23H25N5O2
SMILES:
Cc1ccccc1-c1ncc(N)cc1C(=O)N[C@]1(N)NCCC(=O)[C@H]2C=CC=C[C@@H]21
BIRTHDAY:
2018-11-30T03:40:53.816290
ATC:
C03C
CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:
C23H24F2N4O
SMILES:
CN(C)CCCc1ccc(Nc2cc(C(=O)Nc3c(F)cccc3F)ccn2)cc1
BIRTHDAY:
2018-11-30T03:40:53.825677
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@H]1CCCC[C@@]1(N)c1ccc(NC(=O)c2c(F)cncc2-c2cc(F)cc(F)c2)cn1
BIRTHDAY:
2018-11-30T03:40:53.835846
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H16F2N4O2
SMILES:
COc1ccc(Nc2nnc(-c3ccnc(Cc4cccc(F)c4F)c3)o2)cc1
BIRTHDAY:
2018-11-30T03:40:53.845305
ATC:
R06A
RESPIRATORY SYSTEM
ANTIHISTAMINES FOR SYSTEMIC USE
ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:
C21H25FN6O
SMILES:
CNc1ncccc1-c1nc(-c2cccc(F)c2)c(C(=O)NC(C)(C)N(C)C)[nH]1
BIRTHDAY:
2018-11-30T03:40:53.855042
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C22H17FN4
SMILES:
Fc1cccc(-c2ccncc2-c2cc(NCc3ccccn3)ccn2)c1
BIRTHDAY:
2018-11-30T03:40:53.863402
ATC:
L01D
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:
C22H31N5O
SMILES:
CN1CC[C@H](N)[C@@H](NC(=O)c2nc(-c3ccc(C(C)(C)C)cc3)ccc2N)C1
BIRTHDAY:
2018-11-30T03:40:53.872146
ATC:
R06A
RESPIRATORY SYSTEM
ANTIHISTAMINES FOR SYSTEMIC USE
ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:
C24H24N6O
SMILES:
NC(=O)c1ccccc1Nc1cccc(-c2ccnc3[nH]nc(N4CCCCC4)c23)c1
BIRTHDAY:
2018-11-30T03:40:53.902041
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C17H13FN6O2S
SMILES:
COc1ccc(F)c(NC(=O)c2nsc(Nc3cnc(C#N)cn3)c2C)c1
BIRTHDAY:
2018-11-30T03:40:53.911946
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C20H23F3N4O2
SMILES:
COc1ccc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(C(F)(F)F)n2)cc1
BIRTHDAY:
2018-11-30T03:40:53.921530
ATC:
A16A
ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:
C20H20F2N6OS
SMILES:
Nc1nc(C(=O)Nc2ccc(N3CCCC[C@@H]3N)nc2)sc1-c1cc(F)cc(F)c1
BIRTHDAY:
2018-11-30T03:40:53.931804
ATC:
P01B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
ANTIMALARIALS
Synthesis Plan
FORMULA:
C22H28N8
SMILES:
CC(C)Nc1ccnc(-c2nccnc2Nc2ccncc2N2CCNC[C@@H]2C)c1
BIRTHDAY:
2018-11-30T03:40:53.941771
ATC:
V08D
VARIOUS
CONTRAST MEDIA
ULTRASOUND CONTRAST MEDIA
Synthesis Plan
FORMULA:
C14H20F2N2
SMILES:
NC1CCC([C@@H](N)Cc2cc(F)ccc2F)CC1
BIRTHDAY:
2018-11-30T03:40:53.948614
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C16H19F5N2O
SMILES:
N[C@@H](Cc1cc(F)ccc1F)C1CCC(NC(=O)C(F)(F)F)CC1
BIRTHDAY:
2018-11-19T08:15:33.924768
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C28H34N4O
SMILES:
CN1CCC[C@H](NC(=O)c2nc(-c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)ccc2N)C1
BIRTHDAY:
2018-11-19T08:15:33.934179
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C35H42Cl2N14OS2
SMILES:
NC1=NC=C(C(=O)Nc2c(N3CCCC[C@@H]3N)cnc3ncnc(Nc4cc(Cl)cc(Cl)c4)c23)[S@]12C=C1N=C2CNCCCNCCNC[C@@H]2CSC1=N2
BIRTHDAY:
2018-11-19T08:15:33.956198
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C20H31F2N5O
SMILES:
N[C@H](Cc1ccc(F)c(F)c1)[C@@H]1C[C@@H]1[C@H]1CCNCCNCCNCC(=O)N1
BIRTHDAY:
2018-11-19T08:15:33.965623
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C22H17FN4
SMILES:
Fc1ccccc1-c1cc(-c2cccc(NCc3cccnc3)n2)ccn1
BIRTHDAY:
2018-11-19T08:15:33.984433
ATC:
M03A
MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANTS
MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:
C23H24F2N4O
SMILES:
CN(C)CCCc1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3F)ccn2)cc1
BIRTHDAY:
2018-11-19T08:15:33.993974
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C23H24N6O
SMILES:
CNC(=O)c1cccn2c(-c3cc(-c4ccc(C(C)(C)C)cc4)cnc3N)nnc12
BIRTHDAY:
2018-11-19T08:15:34.003332
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C22H23NO3S
SMILES:
CC(C)c1ccccc1-c1cc(O)cc(/C=C2\N=C(O)SC2=O)c1C(C)C
BIRTHDAY:
2018-11-19T08:15:34.011978
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C26H29N7O4
SMILES:
COc1cccc(Nc2ccnc(-c3nc(-c4ncccc4NCC(C)(C)O)no3)c2)c1C(=O)N(C)C
BIRTHDAY:
2018-11-19T08:15:34.024028
ATC:
C01D
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:
C22H16FN5O5S
SMILES:
COc1ccc(-c2c(Nc3ccccc3F)[nH]cc(C(=O)Nc3nnc(C(=O)O)s3)c2=O)cc1
BIRTHDAY:
2018-11-19T08:15:34.035700
ATC:
L04A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
IMMUNOSUPPRESSANTS
IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:
C20H17F3N6O
SMILES:
Nc1nc2cc(-c3ccc4ncc(N5CC(NCC(F)(F)F)C5)cc4n3)ccc2o1
BIRTHDAY:
2018-11-19T08:15:34.045967
ATC:
N04B
NERVOUS SYSTEM
ANTI-PARKINSON DRUGS
DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@@H]1CCCC[C@]1(N)c1cc(NC(=O)c2cncc(-c3ccc(F)c(F)c3)c2F)ccn1
BIRTHDAY:
2018-11-19T08:15:34.056121
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C22H17FN4
SMILES:
Fc1ccc(-c2cccnc2-c2ccc(NCc3ccncc3)cn2)cc1
BIRTHDAY:
2018-11-19T08:15:34.064824
ATC:
C03C
CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:
C22H31N5O
SMILES:
CN1CC[C@H](NC(=O)c2nc(-c3ccc(C(C)(C)C)cc3)ccc2N)[C@@H](N)C1
BIRTHDAY:
2018-11-19T08:15:34.073708
ATC:
R06A
RESPIRATORY SYSTEM
ANTIHISTAMINES FOR SYSTEMIC USE
ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:
C24H26F2N4O
SMILES:
CN(C)CCCCc1ccc(Nc2cc(C(=O)Nc3c(F)cccc3F)ccn2)cc1
BIRTHDAY:
2018-11-19T08:15:34.083293
ATC:
C02A
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:
C28H27F3N4O
SMILES:
CC(C)c1ccccc1-c1c(C(=O)NC2(C#N)CC2)ccnc1N[C@@H](C)c1cccc(C(F)(F)F)c1
BIRTHDAY:
2018-11-19T08:15:34.094942
ATC:
C03X
CARDIOVASCULAR SYSTEM
DIURETICS
OTHER DIURETICS
Synthesis Plan
FORMULA:
C17H13F2N5S
SMILES:
C[C@]12C=CC=C[C@]1(Nc1nnc(-c3cccc(F)c3F)s1)N=CC=N2
BIRTHDAY:
2018-11-19T08:15:34.104150
ATC:
H01B
SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:
C22H26F2N6O3
SMILES:
CC(C)(NC(=O)c1ccncc1NC(=O)Nc1cc(F)ccc1F)C(=O)N[C@@H]1CCCCN1
BIRTHDAY:
2018-11-19T08:15:34.115167
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C22H20F3N3O
SMILES:
CC(C)c1cccc(-c2cnc(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1
BIRTHDAY:
2018-11-19T08:15:34.124376
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C22H31N5O
SMILES:
CN1CC[C@H](N)[C@H](NC(=O)c2nc(-c3ccc(C(C)(C)C)cc3)ccc2N)C1
BIRTHDAY:
2018-11-19T08:15:34.133223
ATC:
R06A
RESPIRATORY SYSTEM
ANTIHISTAMINES FOR SYSTEMIC USE
ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:
C24H26N4O3
SMILES:
CC(C)(C)c1ccccc1-c1c(C(=O)NCC(=O)O)ccnc1NCc1ccccn1
BIRTHDAY:
2018-11-19T08:15:34.143906
ATC:
M03B
MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANTS
MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
Synthesis Plan
FORMULA:
C35H42N8O
SMILES:
N[C@@H]1CCCC[C@]1(c1ccccc1)c1ccnc(N[C@H]2c3cccc4c3NN2CCN2CC[C@@H](C2)OC=C2CNCC4=N2)c1
BIRTHDAY:
2018-11-19T08:15:34.157235
ATC:
N03A
NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Synthesis Plan
FORMULA:
C25H24N6O
SMILES:
Cc1cnccc1-c1ncc(C(=O)Nc2ccnc(-c3ccccc3C(C)C)c2)nc1N
BIRTHDAY:
2018-11-19T08:15:34.167068
ATC:
A16A
ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@H]1CCCC[C@]1(N)c1cc(NC(=O)c2c(F)cncc2-c2cc(F)cc(F)c2)ccn1
BIRTHDAY:
2018-11-19T08:15:34.177412
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H20F4N2O
SMILES:
CC(C)CC1=C(c2ccc(F)c(F)c2)NCCN1C(=O)c1ccc(F)cc1F
BIRTHDAY:
2018-11-19T08:15:34.187704
ATC:
C09C
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:
C24H27N5O
SMILES:
CNC(=O)c1ccc(Nc2ccccc2-c2ccc(N3CCCC[C@@H]3N)cn2)cc1
BIRTHDAY:
2018-11-19T08:15:34.197069
ATC:
R06A
RESPIRATORY SYSTEM
ANTIHISTAMINES FOR SYSTEMIC USE
ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@@H]1CCCC[C@]1(N)c1cc(NC(=O)c2c(F)cncc2-c2cc(F)cc(F)c2)ccn1
BIRTHDAY:
2018-11-19T08:15:34.207449
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C20H22N6O4
SMILES:
N#CCNC(=O)Cc1ccc2c(c1)OCCCCCOc1cncc(n1)NC(=O)N2
BIRTHDAY:
2018-11-19T08:15:34.217587
ATC:
G03D
GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
PROGESTOGENS
Synthesis Plan
FORMULA:
C25H19N3O3S
SMILES:
NC(=O)Cc1ccc2c(c1)Oc1cccc(c1)Sc1cc(ncn1)-c1cccc(c1)OC2
BIRTHDAY:
2018-11-19T08:15:34.227679
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C19H13F4N5
SMILES:
Nc1nc(Nc2ccc(F)c(F)c2)c2cc(Cc3ccc(F)cc3F)[nH]c2n1
BIRTHDAY:
2018-11-19T08:15:34.247915
ATC:
P01B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
ANTIMALARIALS
Synthesis Plan
FORMULA:
C20H20F2N6OS
SMILES:
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1N1CCC[C@@H](N)C1
BIRTHDAY:
2018-11-19T08:15:34.258874
ATC:
J01X
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:
C20H23N5O
SMILES:
CC(C)(C)N[C@]12C=C(c3c[nH]c4[nH]c(=O)ccc34)C=C[C@@]1(C)N=CC=N2
BIRTHDAY:
2018-11-19T08:15:34.267754
ATC:
N07C
NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@H]1CCCC[C@]1(N)c1ccc(NC(=O)c2c(F)cncc2-c2cc(F)cc(F)c2)cn1
BIRTHDAY:
2018-11-19T08:15:34.287798
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C24H21FN6O
SMILES:
O[C@@H]1CCCN1c1ccncc1-c1ncncc1Nc1ccncc1-c1ccccc1F
BIRTHDAY:
2018-11-19T08:15:34.298492
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C22H26N4O2S
SMILES:
CNC(=O)c1ncc(COC2=CC=C[C@@]3(C)CSC=NC[C@@]23N)c2c1C=CCC2
BIRTHDAY:
2018-11-19T08:15:34.308037
ATC:
C02D
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis Plan
FORMULA:
C14H20F2N2
SMILES:
N[C@@H](Cc1cccc(F)c1F)C1(N)CCCCC1
BIRTHDAY:
2018-11-19T08:15:34.315062
ATC:
H01A
SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@@H]1CCCC[C@@]1(N)c1ccc(NC(=O)c2cncc(-c3ccc(F)c(F)c3)c2F)cn1
BIRTHDAY:
2018-11-19T08:15:34.344611
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C23H24F2N4O
SMILES:
CN(C)C(C)(C)c1cccc(Nc2cccc(C(=O)Nc3c(F)cccc3F)n2)c1
BIRTHDAY:
2018-11-19T08:15:34.353925
ATC:
R02A
RESPIRATORY SYSTEM
THROAT PREPARATIONS
THROAT PREPARATIONS
Synthesis Plan
FORMULA:
C25H28N4O
SMILES:
CC(C)c1ccccc1-c1cc(NC(=O)c2ccnc(C3CCCC3)c2N)ccn1
BIRTHDAY:
2018-11-19T08:15:34.362752
ATC:
J04A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIMYCOBACTERIALS
DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:
C24H25N7
SMILES:
c1cc(-n2ncc3nccc(-c4cc(C5CC5)ccn4)c32)c(N2CCCNCC2)cn1
BIRTHDAY:
2018-11-19T08:15:34.372703
ATC:
H01A
SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:
C22H26N8O
SMILES:
CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)NC1CCN(C)CC1
BIRTHDAY:
2018-11-19T08:15:34.382801
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H23F2N5
SMILES:
CN(C)CCCc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
BIRTHDAY:
2018-11-19T08:15:34.391951
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C27H33N5O
SMILES:
CC(C)(C)c1ccccc1-c1ccnc(-c2ccccc2C(=O)N[C@]2(N)CCCCN2)c1N
BIRTHDAY:
2018-11-19T08:15:34.401904
ATC:
B03A
BLOOD AND BLOOD FORMING ORGANS
ANTIANEMIC PREPARATIONS
IRON PREPARATIONS
Synthesis Plan
FORMULA:
C27H24FN5O
SMILES:
O=C(c1cccc(Nc2cc(-c3ccnc(-c4ccc(F)cc4)c3)ccn2)c1)N1CCNCC1
BIRTHDAY:
2018-11-19T08:15:34.412112
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@]1(N)CCCC[C@@H]1c1ccc(NC(=O)c2c(F)cncc2-c2ccc(F)c(F)c2)cn1
BIRTHDAY:
2018-11-19T08:15:34.422531
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C24H18F2N4O3
SMILES:
Cc1ccccc1NC(=O)c1ccc(N)c(-c2cocc2C(=O)Nc2c(F)cccc2F)n1
BIRTHDAY:
2018-11-19T08:15:34.444262
ATC:
N03A
NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Synthesis Plan
FORMULA:
C24H28FN5O
SMILES:
CC(C)c1ccccc1-c1cn(-c2cccc(F)c2)nc1C(=O)N[C@]1(N)CCCCN1
BIRTHDAY:
2018-11-19T08:15:34.454291
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C28H26N4O2
SMILES:
N#Cc1ccccc1C(=O)N1CC=CC[C@H]1c1ccccc1NC(=O)N1C[C@H]2C=CC=C[C@H]2C1
BIRTHDAY:
2018-11-19T08:15:34.464595
ATC:
N05B
NERVOUS SYSTEM
PSYCHOLEPTICS
ANXIOLYTICS
Synthesis Plan
FORMULA:
C30H41N7O2S
SMILES:
Nc1nc(-c2cc3ccc2CCCOCCCCCCCN3)sc1C(=O)Nc1cc(N2CCC(N)CC2)ccn1
BIRTHDAY:
2018-11-19T08:15:34.487362
ATC:
M01C
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:
C22H28N8
SMILES:
CC(C)Nc1ccnc(-c2nccnc2Nc2ccncc2N2CCNC[C@H]2C)c1
BIRTHDAY:
2018-11-19T08:15:34.497572
ATC:
V08D
VARIOUS
CONTRAST MEDIA
ULTRASOUND CONTRAST MEDIA
Synthesis Plan
FORMULA:
C21H20F4N2O
SMILES:
CC(C)[C@]1(C)CN(C(=O)c2cc(F)ccc2F)C(c2cccc(F)c2F)=CN1
BIRTHDAY:
2018-11-19T08:15:34.507181
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:
C21H19N5O
SMILES:
CC1(Nc2nnc(-c3ccncc3-c3ccccc3C#N)o2)[C@H]2CC[C@H]1C2
BIRTHDAY:
2018-11-19T08:15:34.547923
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C24H25F3N4O2
SMILES:
CC(C)c1ccccc1-c1c(C(=O)NC[C@H](O)C(F)(F)F)ccnc1NCc1ccccn1
BIRTHDAY:
2018-11-19T08:15:34.559342
ATC:
P01A
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Synthesis Plan
FORMULA:
C24H25N7
SMILES:
NC1CCN(c2ccc(-n3ncc4nccc(-c5cccnc5C5CC5)c43)nc2)CC1
BIRTHDAY:
2018-11-19T08:15:34.578658
ATC:
L01D
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:
C20H20FN5O3
SMILES:
CNC(=O)c1occc1-c1c(N)ccnc1C(=O)Nc1cccc(F)c1N(C)C
BIRTHDAY:
2018-11-19T08:15:34.589054
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:
C20H20F2N6OS
SMILES:
Nc1nc(-c2ccc(F)cc2F)c(C(=O)Nc2ccc(N3CCCC[C@@H]3N)nc2)s1
BIRTHDAY:
2018-11-19T08:15:34.599857
ATC:
P01B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
ANTIMALARIALS
Synthesis Plan
FORMULA:
C22H28N8
SMILES:
CC(C)Nc1ccc(-c2cncc(Nc3ccc(N4CCN[C@H](C)C4)nc3)n2)cn1
BIRTHDAY:
2018-11-19T08:15:34.609513
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C14H20F2N2
SMILES:
NC1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
BIRTHDAY:
2018-11-19T08:15:34.616411
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C22H17FN4
SMILES:
Fc1ccccc1-c1ccncc1-c1ccc(NCc2ccccn2)nc1
BIRTHDAY:
2018-11-19T08:15:34.625011
ATC:
L01A
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
ALKYLATING AGENTS
Synthesis Plan
FORMULA:
C21H21F3N8O
SMILES:
Nc1nc(C(=O)Nc2ccnc(N3CCCC[C@@H]3N)c2)cnc1-c1ccncc1C(F)(F)F
BIRTHDAY:
2018-11-19T08:15:34.636507
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C21H30N6O
SMILES:
CC(C)(C)c1cccc(-c2c(N)cncc2C(=O)N[C@@]2(N)NCCC[C@@H]2N)c1
BIRTHDAY:
2018-11-19T08:15:34.645749
ATC:
G02A
GENITO URINARY SYSTEM AND SEX HORMONES
OTHER GYNECOLOGICALS
UTEROTONICS
Synthesis Plan
FORMULA:
C22H26N6O
SMILES:
CC1(N[C@H]2CCN2[C@@H]2CN=Cc3c(C4=C[C@H]5N=CO[C@@]5(N)C=C4)ccnc32)CC1
BIRTHDAY:
2018-11-30T17:23:15.458339
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C16H19N5O3S2
SMILES:
CC(C)Nc1cc2c(cn1)S(=O)(=O)[C@@H](C(=O)NCc1cccnc1)NS2
BIRTHDAY:
2018-11-30T17:23:15.477536
ATC:
A11H
ALIMENTARY TRACT AND METABOLISM
VITAMINS
OTHER PLAIN VITAMIN PREPARATIONS
Synthesis Plan
FORMULA:
C24H28N6O
SMILES:
CNC(=O)c1ccccc1Nc1ccccc1-c1nc([C@@H]2C[C@@H](N)CCN2)ccc1N
BIRTHDAY:
2018-11-30T17:23:15.534588
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:
C23H23N5O3
SMILES:
N[C@]12C=CC=C[C@@]1(c1ccccc1NC(=O)c1ccncc1N1CCOCC1)N=CO2
BIRTHDAY:
2018-11-30T17:23:15.545194
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C17H11F2N5S
SMILES:
Cc1nc2ccccc2nc1Nc1nnc(-c2ccc(F)cc2F)s1
BIRTHDAY:
2018-11-30T17:23:15.554600
ATC:
V04C
VARIOUS
DIAGNOSTIC AGENTS
OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:
C24H21F2N7S
SMILES:
CCNc1cnccc1C1=CC=C[C@]2(C)N=C(Nc3nnc(-c4cccc(F)c4F)s3)C=N[C@H]12
BIRTHDAY:
2018-11-30T17:23:15.565576
ATC:
H01B
SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:
C23H23N5O2
SMILES:
COc1ccccc1-c1ccncc1-c1nccc(N)c1-c1nc(C(C)(C)C)no1
BIRTHDAY:
2018-11-30T17:23:15.575216
ATC:
V09A
VARIOUS
DIAGNOSTIC RADIOPHARMACEUTICALS
CENTRAL NERVOUS SYSTEM
Synthesis Plan
FORMULA:
C20H20F2N6OS
SMILES:
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1N1CCCC[C@@H]1N
BIRTHDAY:
2018-11-30T17:23:15.596047
ATC:
L01D
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:
C20H23N5O
SMILES:
Cc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1NC(C)(C)C
BIRTHDAY:
2018-11-30T17:23:15.604533
ATC:
C01D
CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:
C25H25N3O2
SMILES:
COc1ccc(-c2cccc(-c3ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc3)n2)cc1
BIRTHDAY:
2018-12-02T16:06:23.744615
ATC:
M03B
MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANTS
MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
Synthesis Plan
FORMULA:
C21H22N8
SMILES:
Cc1cnc(-c2ccc3cnn(-c4ccc(N5CCCC[C@H]5N)cn4)c3n2)cn1
BIRTHDAY:
2018-12-02T16:06:23.754660
ATC:
H01C
SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
HYPOTHALAMIC HORMONES
Synthesis Plan
FORMULA:
C22H17FN4
SMILES:
Fc1ccc(-c2ccnc(-c3ccc(NCc4ccccn4)nc3)c2)cc1
BIRTHDAY:
2018-12-02T16:06:23.763128
ATC:
P01A
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Synthesis Plan
FORMULA:
C16H9F3N2O2S
SMILES:
O=C1SC(O)=N/C1=C\c1cnccc1-c1cccc(C(F)(F)F)c1
BIRTHDAY:
2018-12-02T16:06:23.789323
ATC:
N05A
NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Synthesis Plan
FORMULA:
C25H25N5O2
SMILES:
CC(C)(O)c1ccccc1-c1c(NCc2ccccn2)ccnc1C(=O)NC1(C#N)CC1
BIRTHDAY:
2018-12-02T16:06:23.800170
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C19H22F3N5O2
SMILES:
COc1cccc(Nc2ccnc(C(=O)N[C@]3(N)CCCCN3)c2C(F)(F)F)c1
BIRTHDAY:
2018-12-02T16:06:23.818629
ATC:
N03A
NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Synthesis Plan
FORMULA:
C23H24F2N4O
SMILES:
CN(C)C(C)(C)c1ccccc1Nc1ccncc1C(=O)Nc1c(F)cccc1F
BIRTHDAY:
2018-12-02T16:06:23.828405
ATC:
R05D
RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:
C23H24F2N4O
SMILES:
CN(C)CCCc1ccc(Nc2ccc(C(=O)Nc3c(F)cccc3F)cn2)cc1
BIRTHDAY:
2018-12-02T16:06:23.837579
ATC:
C02A
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:
C14H15NO5
SMILES:
CN[C@H](Cc1c(O)ccoc1=O)c1ccc(O)c(O)c1
BIRTHDAY:
2018-12-02T16:06:23.845454
ATC:
B02B
BLOOD AND BLOOD FORMING ORGANS
ANTIHEMORRHAGICS
VITAMIN K AND OTHER HEMOSTATICS
Synthesis Plan
FORMULA:
C18H26N2O
SMILES:
C[C@H](N(C)C)[C@@]12C=CN(CC1)[C@H](c1ccccc1CO)C2
BIRTHDAY:
2018-12-02T16:06:23.863769
ATC:
C07A
CARDIOVASCULAR SYSTEM
BETA BLOCKING AGENTS
BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@@H]1CCCC[C@]1(N)c1cc(NC(=O)c2c(-c3cc(F)cc(F)c3)ccnc2F)ccn1
BIRTHDAY:
2018-12-03T10:42:45.311704
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C23H35N3O2
SMILES:
C[C@@H]1CCCC(=O)CC=CCCN1c1cnccc1[C@H]1CC[C@H](N)C[C@@]1(C)O
BIRTHDAY:
2018-12-03T10:42:45.341108
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C28H34N4O
SMILES:
CN1CCC(c2cccc(NC(=O)c3nc(-c4ccc(C(C)(C)C)cc4)ccc3N)c2)CC1
BIRTHDAY:
2018-12-03T10:42:45.350131
ATC:
N06A
NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Synthesis Plan
FORMULA:
C16H19F5N2O
SMILES:
N[C@H](Cc1c(F)cccc1F)C1(NC(=O)C(F)(F)F)CCCCC1
BIRTHDAY:
2018-12-03T10:42:45.379241
ATC:
J01C
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:
C21H26N6
SMILES:
CC(C)Nc1ccncc1-c1ncccc1Nc1ncccc1NC(C)C
BIRTHDAY:
2018-12-03T10:42:45.397393
ATC:
A02A
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
ANTACIDS
Synthesis Plan
FORMULA:
C21H21F3N8O
SMILES:
Nc1nc(C(=O)Nc2ccnc(N3CCCC[C@@H]3N)c2)cnc1-c1ccc(C(F)(F)F)nc1
BIRTHDAY:
2018-12-03T10:42:45.408661
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C22H17FN4
SMILES:
Fc1cccc(-c2cccnc2-c2ccc(NCc3ccccn3)cn2)c1
BIRTHDAY:
2018-12-03T10:42:45.417310
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C31H38FN5OS
SMILES:
CN1CCC(N2CCCCCNCc3cccc(c3)-c3cc(ncn3)S[C@H](c3ccccc3F)CC2=O)CC1
BIRTHDAY:
2018-12-03T10:42:45.439051
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C17H13FN6O2S
SMILES:
COc1ccc(NC(=O)c2nsc(C)c2Nc2nccnc2C#N)c(F)c1
BIRTHDAY:
2018-12-03T10:42:45.449086
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C18H20N6O4
SMILES:
CN(C)C(C)(C)NC(=O)c1ccncc1NC(=O)c1cnc2[nH]c(=O)oc2c1
BIRTHDAY:
2018-12-03T10:42:45.459648
ATC:
A03A
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:
C22H25N3O3
SMILES:
COc1cccc(NC(=O)c2c(N)cncc2-c2cocc2C)c1C(C)(C)C
BIRTHDAY:
2018-12-03T10:42:45.468830
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C20H23N5O
SMILES:
N[C@]1(c2cccc3[nH]ncc23)CCCN[C@H]1NC(=O)Cc1ccccc1
BIRTHDAY:
2018-12-03T10:42:45.477628
ATC:
A10B
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@H]1C[C@H](N)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cccc(F)c3F)n2)C1
BIRTHDAY:
2018-12-03T19:11:10.433562
ATC:
C03C
CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:
C23H24N4O2
SMILES:
COc1ccc(-c2cc(C#N)c(N)nc2-c2ccc(OCCN(C)C)cc2)cc1
BIRTHDAY:
2018-12-03T19:11:10.442354
ATC:
B02B
BLOOD AND BLOOD FORMING ORGANS
ANTIHEMORRHAGICS
VITAMIN K AND OTHER HEMOSTATICS
Synthesis Plan
FORMULA:
C20H21F3N6O
SMILES:
N[C@]12C=CC=C[C@]1(c1ccnc3c1C=N[C@@H](N1CC[C@H]1NCC(F)(F)F)C3)N=CO2
BIRTHDAY:
2018-12-03T19:11:10.452792
ATC:
P01B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
ANTIMALARIALS
Synthesis Plan
FORMULA:
C17H13F2N5O
SMILES:
N[C@@]1(c2cccc(F)c2)N=NC(=O)[C@@H]2C(c3cccc(F)c3)=CNN21
BIRTHDAY:
2018-12-03T19:11:10.471590
ATC:
C02C
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:
C9H7N3O2
SMILES:
Cc1nccnc1-c1cnc(=O)oc1
BIRTHDAY:
2018-12-03T19:11:10.478220
ATC:
C03C
CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:
C19H23N7O
SMILES:
CC(C)Nc1ccnc(-c2nccnc2Nc2ncccc2N[C@@H](C)O)c1
BIRTHDAY:
2018-12-03T19:11:10.497588
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H21F3N8O
SMILES:
Nc1nc(C(=O)Nc2ccnc(N3CCCC[C@H]3N)c2)cnc1-c1ccc(C(F)(F)F)nc1
BIRTHDAY:
2018-12-03T19:11:10.529199
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C19H25F2N5
SMILES:
Nc1cccc(N[C@@H]2C[C@H]([C@@H](N)Cc3cc(F)ccc3F)CC[C@H]2N)n1
BIRTHDAY:
2018-12-03T19:11:10.538284
ATC:
C02C
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:
C31H40N4O
SMILES:
C[C@@]1(c2ccc(Nc3cccc(Nc4cccc(C(N)=O)c4)c3)cc2)CCCCCCCCNCC1
BIRTHDAY:
2018-12-03T19:11:10.547668
ATC:
N02C
NERVOUS SYSTEM
ANALGESICS
ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@H]1C[C@H](N)C[C@@H](c2cccnc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1
BIRTHDAY:
2018-12-03T19:11:10.557978
ATC:
C08D
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:
C24H19F3N4O2
SMILES:
C#Cc1cccc(Nc2cc(Nc3cccc(C(N)=O)c3)ccc2C(=O)NCC(F)(F)F)c1
BIRTHDAY:
2018-12-03T19:11:10.568037
ATC:
J01E
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
SULFONAMIDES AND TRIMETHOPRIM
Synthesis Plan
FORMULA:
C22H30FN5O4
SMILES:
N[C@@H]1CCCCN1c1cncc(N[C@@]2(N)CO[C@]3(F)C=CC=C[C@@H]3OC=COCCO2)c1
BIRTHDAY:
2018-12-03T19:11:10.578567
ATC:
L02B
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ENDOCRINE THERAPY
HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:
C22H27N5O2
SMILES:
CC(C)(C)c1ccc(-c2ccc(N)c(C(=O)Nc3nnc(C(C)(C)C)o3)n2)cc1
BIRTHDAY:
2018-12-03T19:11:10.587544
ATC:
R06A
RESPIRATORY SYSTEM
ANTIHISTAMINES FOR SYSTEMIC USE
ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:
C20H20F2N6OS
SMILES:
Nc1nc(C(=O)Nc2ccnc(N3CCCC[C@H]3N)c2)sc1-c1cc(F)cc(F)c1
BIRTHDAY:
2018-12-03T19:11:10.597746
ATC:
P01B
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTIPROTOZOALS
ANTIMALARIALS
Synthesis Plan
FORMULA:
C27H24F4N2O2
SMILES:
CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1
BIRTHDAY:
2018-12-01T22:30:15.393928
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C20H23FN6O
SMILES:
CN(C)C(C)(C)NC(=O)c1nc(-c2ccccc2F)[nH]c1-c1cnccc1N
BIRTHDAY:
2018-12-01T22:30:15.403410
ATC:
N01A
NERVOUS SYSTEM
ANESTHETICS
ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:
C24H31N5
SMILES:
CN1CCC(n2cc(-c3ccc(N)nc3)c(-c3ccc(C(C)(C)C)cc3)n2)CC1
BIRTHDAY:
2018-12-01T22:30:15.412118
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C23H25N7O2
SMILES:
COc1ccc(Nc2ccc(-c3ccn([C@H]4CCCNC4)n3)nc2-c2noc(C)n2)cc1
BIRTHDAY:
2018-12-01T22:30:15.422691
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C26H28N6O
SMILES:
CNC(=O)c1cccc(Nc2cccc(-c3cc4c(cn3)cnn4C3CCN(C)CC3)c2)c1
BIRTHDAY:
2018-12-01T22:30:15.432469
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C22H28N8
SMILES:
CC(C)Nc1ccc(-c2cncc(Nc3ccc(N4CCN[C@@H](C)C4)nc3)n2)cn1
BIRTHDAY:
2018-12-01T22:30:15.442008
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C22H17FN4
SMILES:
Fc1ccc(-c2cc(-c3cccc(NCc4cccnc4)n3)ccn2)cc1
BIRTHDAY:
2018-12-01T22:30:15.457169
ATC:
C04A
CARDIOVASCULAR SYSTEM
PERIPHERAL VASODILATORS
PERIPHERAL VASODILATORS
Synthesis Plan
FORMULA:
C26H17FN6
SMILES:
Fc1ccc(-c2ccc(-c3ccc4c(n3)NC=Cn3c-4cnc3-c3cccnc3)cn2)cc1
BIRTHDAY:
2018-12-01T22:30:15.467034
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C21H20FN5O3
SMILES:
CNC(=O)c1cncc(C(=O)Nc2ccc(F)c(OC)c2)c1NCc1cccnc1
BIRTHDAY:
2018-12-01T22:30:15.486790
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C24H23F3N4O
SMILES:
C[C@H]1CCCC[C@@]1(N)c1cc(NC(=O)c2c(F)cncc2-c2ccc(F)c(F)c2)ccn1
BIRTHDAY:
2018-12-01T22:30:15.497048
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C27H34FN7O3S
SMILES:
CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(F)cc2-c2c(N)cncc2C(=O)N[C@@]2(N)NCCC[C@H]2N)c1
BIRTHDAY:
2018-12-01T22:30:15.520743
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C23H26N6O
SMILES:
Nc1cc(-c2ccnc([C@H]3[C@@H]4CCCC[C@@H]3CC3=C4C=C[C@H]4N=CO[C@]34N)c2)[nH]n1
BIRTHDAY:
2018-12-01T22:30:15.531188
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C22H17FN6O
SMILES:
Nc1nccc(-c2cccnc2Nc2ccccc2C(=O)Nc2cccc(F)c2)n1
BIRTHDAY:
2018-12-01T22:30:15.549974
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
