matter.farm

Computer-generated molecule database for public drug discovery. About this project.

These compounds may interact with:

5'-AMP-activated protein kinase subunit beta-1

Potentially involved in: stomach neoplasms; gaucher disease type 1; group 4 medulloblastoma; medulloblastoma, large-cell; osteosarcoma; ovarian cancer; subependymal giant cell astrocytoma; disease progression

Disease data sourced from Pharos.

Inhibitor

FORMULA:C24H31N

SMILES: CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C#N)c2)cc1

BIRTHDAY: 2018-12-01T14:10:56.749962
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H17NO4

SMILES: O=C(O)C1(c2ccccc2[C@@]23C=CC=C[C@]2(C(=O)O)C=CN3)CC1

BIRTHDAY: 2018-12-01T14:10:56.759012
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C19H17NO4

SMILES: O=C(O)C1(c2ccccc2[C@@]23C=CC=C[C@@]2(C(=O)O)C=CN3)CC1

BIRTHDAY: 2018-12-01T14:10:56.768000
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C19H17NO4

SMILES: O=C(O)C1(c2ccccc2[C@]23C=CC=C[C@@]2(C(=O)O)C=CN3)CC1

BIRTHDAY: 2018-12-01T14:10:56.784318
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C19H15NO4

SMILES: O=C(O)c1cc2cc(-c3ccc(C4(C(=O)O)CC4)cc3)ccc2[nH]1

BIRTHDAY: 2018-12-01T14:10:56.792700
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C19H19NO3

SMILES: O=C(O)[C@]12C=CC=C[C@@]1(c1cccc(C3(O)CCC3)c1)NC=C2

BIRTHDAY: 2018-12-01T14:10:56.816527
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C22H22N2O2

SMILES: O=C(O)[C@@]12C=CC=C[C@]1(c1ccccc1[C@@]13C=CN(CCC1)C3)NC=C2

BIRTHDAY: 2018-12-01T14:10:56.826982
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C24H31N

SMILES: CC(C)(C)c1ccccc1-c1ccc(C(C)(C)C#N)cc1C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:56.842508
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H11F5O5

SMILES: O=C(O)c1cc(C(=O)O)cc(-c2ccc([C@H](O)c3c(F)c(F)c(F)c(F)c3F)cc2)c1

BIRTHDAY: 2018-12-01T14:10:56.860807
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H17NO4

SMILES: O=C(O)C1(c2ccccc2[C@]23C=CC=C[C@]2(C(=O)O)C=CN3)CC1

BIRTHDAY: 2018-12-01T14:10:56.869772
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C24H19F5O4

SMILES: COc1c(-c2cccc(C(C)(C)C(=O)O)c2)cccc1[C@@H](O)c1c(F)c(F)c(F)c(F)c1F

BIRTHDAY: 2018-12-01T14:10:56.880282
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H16FNO3

SMILES: O=C(O)c1cc2c(-c3ccc([C@@H](O)c4ccc(F)cc4)cc3)cccc2[nH]1

BIRTHDAY: 2018-12-01T14:10:56.895597
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C30H20F3N3O3

SMILES: N#Cc1ccccc1-c1ccccc1C1(c2ccc3c(c2)[nH]c2cc([C@H](C(=O)O)C(F)(F)F)c(=O)[nH]c23)CC1

BIRTHDAY: 2018-12-01T14:10:56.907198
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C33H33NO3

SMILES: O=C(O)c1ccc(-c2ccccc2[C@@H]2COCc3cccc(c3)CNCCCc3cccc(c3)C2)cc1

BIRTHDAY: 2018-12-25T02:02:59.870103
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C22H19NO3

SMILES: O=C(O)[C@]12C=CC=C[C@]1(c1cccc([C@H](O)c3ccccc3)c1)NC=C2

BIRTHDAY: 2018-12-25T02:02:59.878365
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C24H31N

SMILES: CC(C)(C)c1ccccc1-c1cccc(C(C)(C)C#N)c1C(C)(C)C

BIRTHDAY: 2018-12-25T02:02:59.910239
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C21H20F3NO2

SMILES: CC(C)(C#N)c1cccc(-c2cccc(OC(F)(F)F)c2)c1[C@@]1(C)CCO1

BIRTHDAY: 2018-12-25T02:02:59.935149
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C39H45NO3

SMILES: Cc1ccc2cc1OCC=CCOc1cccc(c1-c1cccc(-c3ccccc3C(C)(C)O)c1C(C)(C)C)CNCC2

BIRTHDAY: 2018-12-25T02:02:59.946071
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C30H22F3N3O3

SMILES: N#Cc1ccc(-c2ccc(C3(c4cccc5[nH]c6c(c45)[C@@H]([C@@H](C(=O)O)C(F)(F)F)CNC6=O)CC3)cc2)cc1

BIRTHDAY: 2018-12-25T02:02:59.984614
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C25H33NO

SMILES: COc1ccc(C(C)(C)C)c(-c2cccc(C(C)(C)C#N)c2C(C)(C)C)c1

BIRTHDAY: 2018-12-25T02:02:59.992649
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:C23H17F5O3

SMILES: COc1cccc(-c2ccccc2C(C)(C)C(=O)O)c1-c1c(F)c(F)c(F)c(F)c1F

BIRTHDAY: 2018-12-25T02:03:00.018712
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H17NO4

SMILES: COC(=O)c1cc2cc(-c3cccc(C4(C(=O)O)CC4)c3)ccc2[nH]1

BIRTHDAY: 2018-12-25T02:03:00.034814
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C22H18FNO3

SMILES: O=C(O)[C@]12C=CC=C[C@@]1(c1ccccc1[C@@H](O)c1ccccc1F)NC=C2

BIRTHDAY: 2018-12-03T02:39:03.626254
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C22H17NO3

SMILES: O=C(O)c1cc2cc(-c3ccc([C@@H](O)c4ccccc4)cc3)ccc2[nH]1

BIRTHDAY: 2018-12-03T02:39:03.643280
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C21H26O3

SMILES: COc1cccc(-c2ccccc2C(C)(C)C(=O)O)c1C(C)(C)C

BIRTHDAY: 2018-12-03T02:39:03.667637
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H31N

SMILES: CC(C)(C)c1ccc(-c2ccc(C(C)(C)C#N)cc2C(C)(C)C)cc1

BIRTHDAY: 2018-12-03T02:39:03.674076
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C22H18FNO3

SMILES: O=C(O)[C@@]12C=CC=C[C@]1(c1ccccc1[C@H](O)c1cccc(F)c1)NC=C2

BIRTHDAY: 2018-12-03T02:39:03.693037
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C21H23NO3

SMILES: COc1ccc(C(C)(C)C(=O)O)cc1-c1ccc(C(C)(C)C#N)cc1

BIRTHDAY: 2018-12-03T02:39:03.700607
ATC: D04A
- DERMATOLOGICALS
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
Synthesis Plan
FORMULA:C22H17NO3

SMILES: O=C(O)c1cc2cc(-c3ccc([C@H](O)c4ccccc4)cc3)ccc2[nH]1

BIRTHDAY: 2018-12-03T02:39:03.717658
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C24H19F5O4

SMILES: COc1ccc(-c2ccc(C(C)(C)C(=O)O)cc2)cc1[C@@H](O)c1c(F)c(F)c(F)c(F)c1F

BIRTHDAY: 2018-12-03T02:39:03.736335
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H20N2O3

SMILES: O[C@@H]1C=CCOc2ccc(cn2)CCNCc2cccc(c2)O1

BIRTHDAY: 2018-12-03T02:39:03.760613
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H19NO3

SMILES: O=C1C[C@H]2C=CC=C[C@@H]1c1cccc(C3=C[C@]4(C(=O)O)CNC=C4C=C3)c12

BIRTHDAY: 2018-11-30T03:41:00.774666
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H21NO5

SMILES: CC(C)(C)c1c(Oc2ccncc2C(=O)O)cccc1-c1ccccc1C(=O)O

BIRTHDAY: 2018-11-30T03:41:00.790766
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C22H18FNO3

SMILES: O=C(O)[C@@]12C=CC=C[C@]1(c1ccccc1[C@H](O)c1ccccc1F)NC=C2

BIRTHDAY: 2018-11-30T03:41:00.830396
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C35H49N3O6

SMILES: COc1ccc(C(C)(C)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@]2(C)C[C@H]3[C@@H]4CNCN3C[C@@H]2C4)cc1-c1ccc(C(C)(C)C#N)cc1

BIRTHDAY: 2018-11-30T03:41:00.851553
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C20H8F8O3

SMILES: O=C(O)c1cc(-c2ccccc2[C@H](O)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c1F

BIRTHDAY: 2018-11-19T08:14:44.043805
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H33NO

SMILES: COc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C#N)c2)cccc1C(C)(C)C

BIRTHDAY: 2018-11-19T08:14:44.051473
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C27H28O4

SMILES: CC(C)(C)c1ccc([C@H]2C[C@@H]3CO[C@@]4(C=CC(c5ccccc5C(=O)O)=C[C@H]24)O3)cc1

BIRTHDAY: 2018-11-19T08:14:44.060808
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H26O3

SMILES: COc1cc(C(C)(C)C(=O)O)ccc1-c1ccc(C(C)(C)C)cc1

BIRTHDAY: 2018-11-19T08:14:44.083529
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C21H20F3NO2

SMILES: CC(C)(C#N)c1cc(-c2ccc(OC(F)(F)F)cc2)cc(C2(C)COC2)c1

BIRTHDAY: 2018-11-19T08:14:44.092285
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C22H13F5O3S2

SMILES: O=C(O)c1cc(-c2ccc([C@H](O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc2c1SCCS2

BIRTHDAY: 2018-11-19T08:14:44.103074
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C35H30N4O3

SMILES: O=C(O)c1ccccc1-c1ccccc1-c1c2cccc1-c1ccnc(n1)Nc1cccc(c1)CNCC=CCCO2

BIRTHDAY: 2018-11-19T08:14:44.115026
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H19F5O4

SMILES: COc1cccc([C@@H](O)c2c(F)c(F)c(F)c(F)c2F)c1-c1ccccc1C(C)(C)C(=O)O

BIRTHDAY: 2018-11-19T08:14:44.126235
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C19H17NO4

SMILES: O=C(O)[C@H]1NC=C2C=CC=C[C@]21c1ccccc1C1(C(=O)O)CC1

BIRTHDAY: 2018-11-19T08:14:44.135000
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C19H17NO4

SMILES: O=C(O)C1=CN[C@H]2C=CC=C[C@@]12c1ccccc1C1(C(=O)O)CC1

BIRTHDAY: 2018-11-19T08:14:44.143775
ATC: G04C
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- DRUGS USED IN BENIGN PROSTATIC HYPERTROPHY
Synthesis Plan
FORMULA:C19H15NO4

SMILES: O=C(O)c1cc2cc(-c3cccc(C4(C(=O)O)CC4)c3)ccc2[nH]1

BIRTHDAY: 2018-11-19T08:14:44.151875
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C28H39NO5

SMILES: COc1ccc(C(C)(C)[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(C)(C)C)cc1-c1ccc(C(C)(C)C#N)cc1

BIRTHDAY: 2018-11-19T08:14:44.161284
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H10F8O3

SMILES: COC(=O)c1cc(-c2cccc([C@@H](O)c3c(F)c(F)c(F)c(F)c3F)c2)c(F)c(F)c1F

BIRTHDAY: 2018-11-19T08:14:44.181290
ATC: L02A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONES AND RELATED AGENTS
Synthesis Plan
FORMULA:C22H28S5

SMILES: CC(C)c1ccc(-c2ccc(C(C)(C)C)cc2[C@]2(C)CSSSSS2)cc1

BIRTHDAY: 2018-11-19T08:14:44.189662
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C16H15N5O4

SMILES: N#Cc1ncc2nc1OCC=CCOC=CN1C=C(C(=O)O)C[C@@H]1N2

BIRTHDAY: 2018-11-19T08:14:44.199136
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H28O

SMILES: COc1cccc(-c2ccccc2C(C)(C)C)c1C(C)(C)C

BIRTHDAY: 2018-11-19T08:14:44.205607
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H19NO3

SMILES: O=C(O)[C@]12C=CC=C[C@@]1(c1cccc([C@@H](O)c3ccccc3)c1)NC=C2

BIRTHDAY: 2018-11-19T08:14:44.213843
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C24H19NO5

SMILES: C[C@@]1(Oc2ccccc2-c2c(C(=O)O)cccc2C(=O)O)C=c2ccccc2=NC1

BIRTHDAY: 2018-11-19T08:14:44.224407
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C21H11F5O5

SMILES: O=C(O)c1cc(C(=O)O)cc(-c2ccc([C@@H](O)c3c(F)c(F)c(F)c(F)c3F)cc2)c1

BIRTHDAY: 2018-11-19T08:14:44.253027
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H23NO2

SMILES: COc1cccc(-c2cccc(C(C)(C)C#N)c2[C@@]2(C)CCO2)c1

BIRTHDAY: 2018-11-19T08:14:44.261011
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H23NO6

SMILES: COc1cc(-c2ccc3c(c2)CC(C2(C(=O)O)CC2)=NO3)ccc1OC[C@@H](C)O

BIRTHDAY: 2018-11-19T08:14:44.277148
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C22H19NO3

SMILES: O=C(O)[C@@]12C=CC=C[C@@]1(c1cccc([C@H](O)c3ccccc3)c1)NC=C2

BIRTHDAY: 2018-11-19T08:14:44.285427
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C27H17F7O

SMILES: Fc1cccc(C(OC[C@H](c2c(F)cccc2F)c2c(F)ccc(F)c2F)c2cccc(F)c2)c1

BIRTHDAY: 2018-11-19T08:14:44.297378
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C21H23NO2

SMILES: COc1cccc(-c2cccc(C(C)(C)C#N)c2[C@]2(C)CCO2)c1

BIRTHDAY: 2018-11-19T08:14:44.305362
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H21FN2O

SMILES: CC(C)c1ccc(-c2cccc3c2NC(=O)Cc2c-3[nH]c3ccc(F)cc23)cc1

BIRTHDAY: 2018-11-19T08:14:44.313785
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C41H39NO3

SMILES: C[C@@H](c1ccccc1[C@@]12C=CC=C[C@]1(C(=O)O)C=CN2)[C@@H]1Cc2cccc(c2)Oc2ccc(cc2)CCCCc2ccc1cc2

BIRTHDAY: 2018-11-19T08:14:44.327127
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C27H36N2O3

SMILES: CC(C)(C)NC[C@H](O)COc1ccc(-c2ccc(C3(C)COC3)c(C(C)(C)C#N)c2)cc1

BIRTHDAY: 2018-11-19T08:14:44.337045
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C18H18O4

SMILES: CC(C)(C)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2)cc1

BIRTHDAY: 2018-11-19T08:14:44.344256
ATC: D04A
- DERMATOLOGICALS
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
Synthesis Plan
FORMULA:C23H27NO2

SMILES: CC(C)c1cccc(-c2ccccc2C(C)(C)C#N)c1C(C)(C)C(=O)O

BIRTHDAY: 2018-11-19T08:14:44.368034
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C19H17NO4

SMILES: O=C(O)C1(c2cccc(C3=C[C@@H]4C=CN[C@]4(C(=O)O)C=C3)c2)CC1

BIRTHDAY: 2018-11-19T08:14:44.376445
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C22H16FNO3

SMILES: O=C(O)c1cc2cc(-c3ccc([C@H](O)c4ccc(F)cc4)cc3)ccc2[nH]1

BIRTHDAY: 2018-11-19T08:14:44.384994
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C24H31N

SMILES: CC(C)(C)c1ccccc1-c1cc(C(C)(C)C#N)ccc1C(C)(C)C

BIRTHDAY: 2018-11-19T08:14:44.391903
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C35H45NO7

SMILES: CC(C)[C@@]1(C2(c3ccccc3C3=C[C@@H]4C=CN[C@@]4(C(=O)O)C=C3)COC2)[C@H]2CCO[C@@]13CCC[C@@H](CCOCCCO2)O3

BIRTHDAY: 2018-11-19T08:14:44.406513
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C25H30N2O2

SMILES: CN1C(=O)[C@@H]2NC(=O)[C@@H]1c1c(-c3ccc(C(C)(C)C)cc3)ccc(C(C)(C)C)c12

BIRTHDAY: 2018-11-19T08:14:44.415219
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C21H11F5O5

SMILES: O=C(O)c1cccc(C(=O)O)c1-c1ccccc1[C@H](O)c1c(F)c(F)c(F)c(F)c1F

BIRTHDAY: 2018-11-19T08:14:44.426869
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H21FN4O

SMILES: COc1ccc(C2=N[C@@]34C=C(C)C=C[C@]3(NC=C4c3cccc(F)c3)NN2)cc1

BIRTHDAY: 2018-11-19T08:14:44.436331
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C21H26O2

SMILES: CC(C)(C)c1cccc(-c2cccc(C(=O)O)c2C(C)(C)C)c1

BIRTHDAY: 2018-11-19T08:14:44.450455
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C25H23FN2O5S

SMILES: O=C(O)[C@]1(c2ccccc2C2=CC=CC3=CNC[C@]32C(=O)O)CN[C@@]2(F)C=CC=C[C@@H]2[S@@+]([O-])C1

BIRTHDAY: 2018-11-19T08:14:44.462715
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C22H24N2O

SMILES: COc1cccc(C#N)c1-c1ccccc1[C@@]1(C)[C@@H]2CCC[C@@H]1NC2

BIRTHDAY: 2018-11-19T08:14:44.471245
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C24H19F5O4

SMILES: COc1ccc([C@H](O)c2c(F)c(F)c(F)c(F)c2F)cc1-c1ccc(C(C)(C)C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:14:44.481769
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C24H19F5O4

SMILES: COc1cc(-c2cccc(C(C)(C)C(=O)O)c2)ccc1[C@@H](O)c1c(F)c(F)c(F)c(F)c1F

BIRTHDAY: 2018-11-19T08:14:44.492511
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H18F3NO2

SMILES: CC(C)(C)c1ccc(-c2cc(C(F)(F)F)cc3[nH]c(C(=O)O)cc23)cc1

BIRTHDAY: 2018-11-19T08:14:44.501305
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C21H26O3

SMILES: COc1ccc(-c2ccc(C(C)(C)C(=O)O)cc2)cc1C(C)(C)C

BIRTHDAY: 2018-11-19T08:14:44.508428
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C24H22O4

SMILES: CC(C)(C)c1cccc(-c2c(C(=O)O)cccc2-c2ccccc2C(=O)O)c1

BIRTHDAY: 2018-11-19T08:14:44.516759
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H15NO4

SMILES: O=C(O)c1cc2cccc(-c3ccc(C4(C(=O)O)CC4)cc3)c2[nH]1

BIRTHDAY: 2018-11-19T08:14:44.525092
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C16H16N2O2S

SMILES: CC(C)[C@@]12C=CC(c3ccc(C(=O)O)cc3)=C[C@H]1N=NS2

BIRTHDAY: 2018-11-30T17:23:22.649021
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C24H17NO5

SMILES: O=C(O)c1ccc(-c2ccc(OCc3ccnc4ccccc34)cc2)cc1C(=O)O

BIRTHDAY: 2018-11-30T17:23:22.657953
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C23H19F5O6S

SMILES: O=C(O)[C@]1(c2cc(F)c(F)cc2F)C[S@+]([O-])[C@@H]2[C@@H]3CC[C@]([C@H](O)c4ccc(F)cc4F)(O3)[C@H]2[C@@H]1O

BIRTHDAY: 2018-11-30T17:23:22.670541
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H21N3O2

SMILES: O[C@H]1Cc2cn(cn2)CCC=CCOc2cccc(c2)CN1

BIRTHDAY: 2018-11-30T17:23:22.697477
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C37H35N5O3

SMILES: COC(=O)[C@]12CNC=C1C=CC=C2c1ccccc1[C@@H](C)c1c2cccc1OCCc1cccc(c1)Nc1nccc(n1)NC2

BIRTHDAY: 2018-11-30T17:23:22.735494
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H20F3NO2

SMILES: CC(C)(C#N)c1ccc(C2(C)COC2)cc1-c1ccc(OC(F)(F)F)cc1

BIRTHDAY: 2018-11-30T17:23:22.750888
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C22H14N2O2

SMILES: N#Cc1cccc(-c2ccccc2-c2ccc3cc(C(=O)O)[nH]c3c2)c1

BIRTHDAY: 2018-11-30T17:23:22.759176
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C24H19F5O4

SMILES: COc1cccc(-c2ccccc2C(C)(C)C(=O)O)c1[C@@H](O)c1c(F)c(F)c(F)c(F)c1F

BIRTHDAY: 2018-12-02T16:06:30.765295
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C30H43NO7

SMILES: COc1ccc(-c2cccc(C(C)(C)C#N)c2)c(C(C)(C)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(C)(C)C)c1

BIRTHDAY: 2018-12-02T16:06:30.776696
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C16H18Se

SMILES: CC(C)(C)c1ccccc1-c1cccc([SeH])c1

BIRTHDAY: 2018-12-02T16:06:30.791070
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C27H25N3O4

SMILES: N#CC1=CC=CC2=CN[C@]3([C@@H]4C[C@@H]5N6[C@@H]3[C@@H]3[C@@]7(C=CC=C[C@@]67C(=O)O)CCC[C@]53C4)[C@@]12C(=O)O

BIRTHDAY: 2018-12-02T16:06:30.812231
ATC: N04A
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- ANTICHOLINERGIC AGENTS
Synthesis Plan
FORMULA:C22H18FNO3

SMILES: O=C(O)[C@H]1CNc2c(-c3ccccc3[C@H](O)c3cccc(F)c3)cccc21

BIRTHDAY: 2018-12-02T16:06:30.820830
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C24H29NO2

SMILES: CC(C)(C)c1cc(C(C)(C)C(=O)O)ccc1-c1ccc(C(C)(C)C#N)cc1

BIRTHDAY: 2018-12-02T16:06:30.841795
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C37H27ClN4O5

SMILES: O=C(O)c1ccc(OC(=O)c2ccc(-c3c4ccc5ccn(c35)CC=CCOCc3cccc(c3)Nc3nccc-4n3)cc2)c(Cl)c1

BIRTHDAY: 2018-12-02T16:06:30.862982
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C29H38N2O2S

SMILES: CC1=C[C@@](N)(C(C)(C)c2cccc(-c3ccccc3C(C)(C)C)c2C(C)(C)C)C(=O)C(=O)SN1

BIRTHDAY: 2018-12-02T16:06:30.872794
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C19H19NO3

SMILES: C[C@@]1(c2ccccc2[C@]23C=CC=C[C@@]2(C(=O)O)C=CN3)CCO1

BIRTHDAY: 2018-12-02T16:06:30.902783
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C21H26O3

SMILES: COc1cccc(-c2ccccc2C(C)(C)C)c1C(C)(C)C(=O)O

BIRTHDAY: 2018-12-02T16:06:30.910301
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C22H28O3

SMILES: CC(C)(C)c1ccccc1-c1cccc(OCC(=O)O)c1C(C)(C)C

BIRTHDAY: 2018-12-03T10:42:52.570176
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C22H19NO3

SMILES: O=C(O)[C@]12C=CC=C[C@@]1(c1cccc([C@H](O)c3ccccc3)c1)NC=C2

BIRTHDAY: 2018-12-03T10:42:52.588407
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C21H11F5O5

SMILES: O=C(O)c1cccc(C(=O)O)c1-c1ccccc1[C@@H](O)c1c(F)c(F)c(F)c(F)c1F

BIRTHDAY: 2018-12-03T10:42:52.599952
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C22H16FNO3

SMILES: O=C(O)c1cc2cccc(-c3ccc([C@@H](O)c4ccccc4F)cc3)c2[nH]1

BIRTHDAY: 2018-12-03T10:42:52.608469
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C27H34N2O2

SMILES: CC(C)(C#N)c1cccc(-c2ccccc2OC(C)(C)N2CCCC2)c1[C@]1(C)CCO1

BIRTHDAY: 2018-12-03T10:42:52.646870
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C23H26N2O4

SMILES: C[C@H](c1ccccc1[C@@]12C=CC=C[C@]1(C(=O)O)C=CN2)[C@@]12CC[C@H](COCN1)O2

BIRTHDAY: 2018-12-03T10:42:52.689185
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C22H28O3

SMILES: CC(C)(C)c1ccc(-c2ccc(OCC(=O)O)c(C(C)(C)C)c2)cc1

BIRTHDAY: 2018-12-03T10:42:52.696340
ATC: V09D
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- HEPATIC AND RETICULO ENDOTHELIAL SYSTEM
Synthesis Plan
FORMULA:C25H33NO

SMILES: COc1cc(C(C)(C)C)ccc1-c1cc(C(C)(C)C)cc(C(C)(C)C#N)c1

BIRTHDAY: 2018-12-03T19:11:17.573150
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C28H24N4O3S

SMILES: O=C1CCCNCc2cccc(c2)-c2cc(ncn2)Sc2ccc(-c3ccc(C(=O)O)cc3)cc2N1

BIRTHDAY: 2018-12-03T19:11:17.583887
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C22H30O5

SMILES: CC1=CCc2c(cccc2[C@](C)(O)CO)O[C@](C)(O)C(=O)C=CCCCC1

BIRTHDAY: 2018-12-03T19:11:17.592494
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C19H17NO4

SMILES: O=C(O)C1(c2ccccc2C2=CC=C[C@]3(C(=O)O)C=CN[C@@H]23)CC1

BIRTHDAY: 2018-12-03T19:11:17.614548
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C15H17BO2

SMILES: CC(C)c1ccc(-c2ccc(B(O)O)cc2)cc1

BIRTHDAY: 2018-12-03T19:11:17.630603
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C21H11F5O5

SMILES: O=C(O)c1cccc(-c2cccc([C@H](O)c3c(F)c(F)c(F)c(F)c3F)c2)c1C(=O)O

BIRTHDAY: 2018-12-03T19:11:17.640872
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C29H21NO5

SMILES: O=C(O)c1cc2cc(-c3ccc(C4=C[C@H]5Cc6cccc(C(=O)O)c6[C@@H](C4)C5=O)cc3)ccc2[nH]1

BIRTHDAY: 2018-12-03T19:11:17.651114
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C22H16FNO3

SMILES: O=C(O)c1cc2cc(-c3ccc([C@@H](O)c4ccc(F)cc4)cc3)ccc2[nH]1

BIRTHDAY: 2018-12-03T19:11:17.667407
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C28H39NO5

SMILES: COc1cccc(-c2cccc(C(C)(C)C#N)c2)c1C(C)(C)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(C)(C)C

BIRTHDAY: 2018-12-03T19:11:17.677435
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C19H17NO3

SMILES: CC1(c2ccc(-c3ccc4[nH]c(C(=O)O)cc4c3)cc2)COC1

BIRTHDAY: 2018-12-03T19:11:17.708671
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C19H30N4O6S

SMILES: C/C=C/[C@H]1NC(=O)[C@@H](CCCC(=O)O)NC(=O)C(C)(C)SCCNC(=O)CNC1=O

BIRTHDAY: 2018-12-03T19:11:17.719120
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C31H46N2O

SMILES: CC(C)c1ccc(-c2ccc([C@H]3CCCCNCCNCCCC(=O)C3)c(C(C)(C)C)c2)cc1

BIRTHDAY: 2018-12-03T19:11:17.728700
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis Plan
FORMULA:C28H39NO5

SMILES: COc1ccc(-c2cccc(C(C)(C)C#N)c2)cc1C(C)(C)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(C)(C)C

BIRTHDAY: 2018-12-01T22:30:22.502307
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C27H16F8O

SMILES: Fc1cccc(C(OC[C@@H](c2c(F)cccc2F)c2c(F)cc(F)c(F)c2F)c2cccc(F)c2)c1

BIRTHDAY: 2018-12-01T22:30:22.514697
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C22H19NO3

SMILES: O=C(O)[C@]12C=CC=C[C@@]1(c1ccccc1[C@@H](O)c1ccccc1)NC=C2

BIRTHDAY: 2018-12-01T22:30:22.540982
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C22H19NO3

SMILES: O=C(O)[C@@]12C=CC=C[C@]1(c1cccc([C@H](O)c3ccccc3)c1)NC=C2

BIRTHDAY: 2018-12-01T22:30:22.549191
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C21H21N3O3S

SMILES: COC(=O)[C@]12C=CC=C[C@@]1(c1cccc([C@@H](C)[C@@H]3C=NNC(=O)S3)c1)NC=C2

BIRTHDAY: 2018-12-01T22:30:22.598632
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C24H19F5O4

SMILES: COc1cc([C@@H](O)c2c(F)c(F)c(F)c(F)c2F)ccc1-c1ccc(C(C)(C)C(=O)O)cc1

BIRTHDAY: 2018-12-01T22:30:22.625819
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C25H33NO

SMILES: COc1cccc(-c2cccc(C(C)(C)C#N)c2C(C)(C)C)c1C(C)(C)C

BIRTHDAY: 2018-12-01T22:30:22.640483
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