matter.farm

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

These compounds may interact with:

Caspase-7

Potentially involved in: vitiligo; carcinoma; cancer; hypertrophic cardiomyopathy 1; type 1 diabetes mellitus 17; leukemia, myelocytic, acute; liver cirrhosis, experimental; myocardial reperfusion injury; mammary neoplasms; barrett's esophagus; colon cancer; esophageal adenocarcinoma; group 3 medulloblastoma; intraductal papillary-mucinous carcinoma (ipmc); intraductal papillary-mucinous neoplasm (ipmn); juvenile dermatomyositis; lung carcinoma; medulloblastoma, large-cell; pediatric high grade glioma; psoriasis

Disease data sourced from Pharos.

Inhibitor

FORMULA:C15H14Cl2O3S

SMILES: O=C(c1c(Cl)cccc1Cl)[C@H]1C[C@@]2(C(O)O)C=CC[C@@H]1S2

BIRTHDAY: 2018-12-01T14:10:28.876370
ATC: A03B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- BELLADONNA AND DERIVATIVES, PLAIN
Synthesis Plan
FORMULA:C19H23F3N2O6

SMILES: CC(C)[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)CCc1ccc(C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-12-01T14:10:28.886618
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H30N2O6

SMILES: CC(C)[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(=O)O[C@H]1O

BIRTHDAY: 2018-12-01T14:10:28.895890
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C27H32N2O5

SMILES: Cc1oc(-c2ccccc2)nc1CCOc1ccc(C(C)(C)C(=O)N[C@H](C(=O)O)C(C)C)cc1

BIRTHDAY: 2018-12-01T14:10:28.905634
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H26N2O4

SMILES: O=C1CC2(CCCC2)CC(=O)N1CCCCCN1C(=O)c2ccccc2C1=O

BIRTHDAY: 2018-12-01T14:10:28.914167
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C30H38FN5O4

SMILES: O=C(N[C@H](Cc1ccccc1)C(=O)NCC(=O)N1CCCCC1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCN[C@H]1F

BIRTHDAY: 2018-12-01T14:10:28.926694
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C15H26N2O5

SMILES: CC(C)(C)C(=O)N[C@@H](C(=O)N[C@@H]1CC(=O)O[C@H]1O)C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:28.934970
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C29H29N5O8S

SMILES: O=C1Nc2cc(S(=O)(=O)N3[C@H](C(O)O)C[C@@H]4NCc5cccc(c5)OCC=CCNc5nc(ccc5O)[C@H]43)ccc2C1=O

BIRTHDAY: 2018-12-01T14:10:28.950040
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H30N2O6

SMILES: CC(C)[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(=O)O[C@H]1O

BIRTHDAY: 2018-12-01T14:10:28.959294
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C21H22N4O7S

SMILES: C[C@H](NC(=O)[C@@]1(C(O)O)CCN(S(=O)(=O)c2cccc3c2C(=O)NC3=O)C1)c1ccncc1

BIRTHDAY: 2018-12-01T14:10:28.970648
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C33H36N2O9S

SMILES: O=C(O)C[C@H](C(=O)c1ccccc1)c1ccc(OCCCCN2C(=O)Cc3cc(S(=O)(=O)N4CCC[C@H]4C(O)O)ccc32)cc1

BIRTHDAY: 2018-12-01T14:10:28.984438
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C41H76N14O7S2

SMILES: CCC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)[C@H]1NC(=O)CNCCCSSCCNCCNCCNCCNC(=O)CNCCNCCNCCNCCNC1=O

BIRTHDAY: 2018-12-01T14:10:29.004881
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C23H37N5O4

SMILES: CC(C)CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1/C(N)=N\O)C(C)C

BIRTHDAY: 2018-12-01T14:10:29.015132
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C23H37N5O4

SMILES: CC(C)CNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1/C(N)=N\O)C(C)C

BIRTHDAY: 2018-12-01T14:10:29.025323
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C21H21N3O7S

SMILES: O=C1NC(=O)c2c1cccc2S(=O)(=O)N1C[C@@H](C(=O)NCc2ccccc2)[C@H](C(O)O)C1

BIRTHDAY: 2018-12-01T14:10:29.036170
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H21N3O7S

SMILES: O=C1NC(=O)c2c1cccc2S(=O)(=O)N1CC[C@@](C(=O)NCc2ccccc2)(C(O)O)C1

BIRTHDAY: 2018-12-01T14:10:29.047413
ATC: P03A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis Plan
FORMULA:C15H26N2O5

SMILES: CC(C)(C)C(=O)N[C@@H](C(=O)N[C@]1(O)OCCC1=O)C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:29.055675
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H30N2O6

SMILES: CC(C)[C@H](NC(=O)COc1cccc(C(C)(C)C)c1)C(=O)N[C@@]1(O)OCCC1=O

BIRTHDAY: 2018-12-01T14:10:29.064930
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C21H22N4O7S

SMILES: O=C1Nc2ccc(S(=O)(=O)N3C[C@H](C(O)O)C[C@H]3C(=O)NCCc3cccnc3)cc2C1=O

BIRTHDAY: 2018-12-25T02:02:31.457517
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C28H36N2O6S

SMILES: COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCCCOc1ccc(C(C)(C)C)cc1

BIRTHDAY: 2018-12-25T02:02:31.468870
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C20H19FN2O5

SMILES: O=C1CO[C@](O)(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(F)c2)C1

BIRTHDAY: 2018-12-25T02:02:31.478575
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C20H23N3O6

SMILES: CC(C)[C@@H](NC(=O)COc1cccc2cccnc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O

BIRTHDAY: 2018-12-25T02:02:31.488625
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C26H35F3N4O6

SMILES: Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CCC(N)=O)C(=O)C(=O)C(F)(F)F)C(C)C)cc1

BIRTHDAY: 2018-12-25T02:02:31.501162
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C27H38N4O7

SMILES: CC(C)C[C@H](NC(=O)c1cccc([C@H]2C=COC(=O)C(=O)N2[C@@H](C)O)c1)C(=O)N[C@H](C(=O)N(C)C)C(C)C

BIRTHDAY: 2018-12-25T02:02:31.513729
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C29H25FN2O2

SMILES: O=C(NCc1ccccc1)[C@H]1CC(=O)N(Cc2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1

BIRTHDAY: 2018-12-25T02:02:31.524131
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H26N4O7S

SMILES: CN(C)CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)C[C@H]1C(O)O

BIRTHDAY: 2018-12-25T02:02:31.535730
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C21H22N4O7S

SMILES: O=C1NC(=O)c2cc(S(=O)(=O)N3CCC[C@]3(C(=O)NCCc3ccncc3)C(O)O)ccc21

BIRTHDAY: 2018-12-25T02:02:31.548987
ATC: C02C
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:C31H41N5O6S

SMILES: CO[C@@]1(C)CCCN1S(=O)(=O)c1cccc2c1C(=O)N(C(C)(C)COc1ccccc1C(C)(C)C)[C@]21N=CN=N[C@]1(C)O

BIRTHDAY: 2018-12-25T02:02:31.562726
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C25H26N6O7S

SMILES: CC(C)[C@H](NC(=O)COc1cccc2cccnc12)C(=O)NC1=C(CC(=O)O)NC(=O)[S@@]2(C=N[N-][CH+]C2)C1=O

BIRTHDAY: 2018-12-25T02:02:31.576075
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C21H30N2O6

SMILES: CC(C)[C@@H](NC(=O)COc1cccc(C(C)(C)C)c1)C(=O)N[C@]1(O)CC(=O)CO1

BIRTHDAY: 2018-12-25T02:02:31.585472
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H39NO5

SMILES: CC(C)[C@H](NC(=O)COc1ccccc1C(C)(C)C)[C@H]1CCC=CCCCOC1(O)O

BIRTHDAY: 2018-12-25T02:02:31.594536
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C21H22N4O7S

SMILES: O=C1Nc2ccc(S(=O)(=O)N3C[C@@H](C(O)O)C[C@@H]3C(=O)NCCc3cccnc3)cc2C1=O

BIRTHDAY: 2018-12-25T02:02:31.606101
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: CO[C@@]1(C)CC[C@@H](C(=O)N[C@@H](C)c2ccncc2)N1S(=O)(=O)c1cccc2c1C(=O)NC2=O

BIRTHDAY: 2018-12-25T02:02:31.617661
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C18H24N2O6S

SMILES: COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCCCO

BIRTHDAY: 2018-12-25T02:02:31.627370
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C24H45N5O6

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(C)C)C(C)C

BIRTHDAY: 2018-12-25T02:02:31.638693
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis Plan
FORMULA:C17H22N2O7S

SMILES: CC(C)(CO)N1C(=O)C(=O)c2c1cccc2S(=O)(=O)N1CCC[C@H]1C(O)O

BIRTHDAY: 2018-12-25T02:02:31.648631
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C20H25N3O6

SMILES: CC(C)[C@@H](NC(=O)CO[C@@]12CC=CC=C1C=CC=N2)C(=O)N[C@]1(O)OCCC1=O

BIRTHDAY: 2018-12-25T02:02:31.658511
ATC: B05A
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- BLOOD AND RELATED PRODUCTS
Synthesis Plan
FORMULA:C29H45N3O8S

SMILES: O=S(=O)(c1cccc2c1O[C@@H]([C@@H]1CC=CCCCCCCNCCN1)COC=COCCO2)N1CC[C@H](C(O)O)C1

BIRTHDAY: 2018-12-25T02:02:31.672642
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C21H30N2O6

SMILES: CC(C)[C@@H](NC(=O)COc1cccc(C(C)(C)C)c1)C(=O)N[C@@]1(O)OCCC1=O

BIRTHDAY: 2018-12-03T02:38:35.427447
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C17H22N2O7S

SMILES: CC(C)(CO)N1C(=O)C(=O)c2c1cccc2S(=O)(=O)N1CC[C@H](C(O)O)C1

BIRTHDAY: 2018-12-03T02:38:35.437277
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C21H30N2O6

SMILES: CC(C)[C@@H](NC(=O)COc1ccccc1C(C)(C)C)C(=O)N[C@]1(O)CC(=O)CO1

BIRTHDAY: 2018-12-03T02:38:35.446698
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H37N5O4

SMILES: CC(C)CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(/C(N)=N/O)cc1)C(C)C

BIRTHDAY: 2018-12-03T02:38:35.456674
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C18H24N2O6S

SMILES: COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)N(CCCCO)C2=O

BIRTHDAY: 2018-12-03T02:38:35.475502
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H22N4O7S

SMILES: C[C@H](NC(=O)[C@]1(C(O)O)CCCN1S(=O)(=O)c1cccc2c1C(=O)NC2=O)c1ccccn1

BIRTHDAY: 2018-12-03T02:38:35.497926
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C24H46N4O4

SMILES: CC(C)C[C@@H](CC(=O)NO)C(=O)N[C@]1(C(C)C)CCCCCCCNCCNCCC1=O

BIRTHDAY: 2018-12-03T02:38:35.509383
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C21H30N2O6

SMILES: CC(C)[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O

BIRTHDAY: 2018-12-03T02:38:35.519108
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: COC[C@@H]1C[C@@H](C(=O)NCCc2cccnc2)N(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)C1

BIRTHDAY: 2018-12-03T02:38:35.530296
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C23H37N5O4

SMILES: CC(C)CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(/C(N)=N\O)cc1)C(C)C

BIRTHDAY: 2018-12-03T02:38:35.540331
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C17H22N2O7S

SMILES: CC(C)(CO)N1C(=O)c2cccc(S(=O)(=O)N3CC[C@H](C(O)O)C3)c2C1=O

BIRTHDAY: 2018-12-03T02:38:35.550143
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C14H23N7O5

SMILES: CC(C)CNC(=O)[C@@H](CC(=O)O)NC(=O)C1(NC(=O)C2CC2)NN=NN1

BIRTHDAY: 2018-12-03T02:38:35.560252
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C18H21F3N2O4

SMILES: CC1=CC=N[C@@]2(OCC(=O)N[C@@H](C(=O)O)C(C)C)C=CC=C[C@@]12C(F)(F)F

BIRTHDAY: 2018-12-03T02:38:35.570035
ATC: D06B
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C23H33F3N2O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C

BIRTHDAY: 2018-12-03T02:38:35.579630
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C17H28F3N3O5S

SMILES: O=C(NCC(F)(F)F)C12CCNCC(S(=O)(=O)N3CCC[C@H]3C(O)O)(CC1)CC2

BIRTHDAY: 2018-11-30T03:40:31.823262
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C20H17FN2O3S

SMILES: O=C(N[C@H](Cc1ccccc1)C(=O)N1CSC=CC1=O)c1ccc(F)cc1

BIRTHDAY: 2018-11-30T03:40:31.832658
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C22H29N3O7S

SMILES: O=C1Nc2ccc(S(=O)(=O)N3C[C@@H](C(O)O)[C@H]([C@@]4(O)CCC[C@H]5CC[C@@H]4CN5)C3)cc2C1=O

BIRTHDAY: 2018-11-30T03:40:31.844017
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C15H26N2O5

SMILES: CC(C)(C)C(=O)N[C@H](C(=O)N[C@@H]1CC(=O)O[C@H]1O)C(C)(C)C

BIRTHDAY: 2018-11-30T03:40:31.852288
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C14H16FN3S

SMILES: CC(C)[C@]1(N)Nc2c(-c3ccccc3F)ccn2S1

BIRTHDAY: 2018-11-30T03:40:31.859954
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C21H30N2O6

SMILES: CC(C)[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(=O)O[C@H]1O

BIRTHDAY: 2018-11-30T03:40:31.869201
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C21H30N2O6

SMILES: CC(C)[C@H](NC(=O)COc1cccc(C(C)(C)C)c1)C(=O)N[C@]1(O)OCCC1=O

BIRTHDAY: 2018-11-30T03:40:31.878451
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: COC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)C[C@@H]1C(=O)NCCc1ccccn1

BIRTHDAY: 2018-11-30T03:40:31.929065
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C28H32N4O7

SMILES: CC(C)[C@H](NC(=O)[C@]1(O)NC(=O)c2cccc(c2)Oc2ccc3c(c2)[C@H](CC3)N2CC[C@@H](C2)NC1=O)C(=O)O

BIRTHDAY: 2018-11-30T03:40:31.942344
ATC: S01X
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OTHER OPHTHALMOLOGICALS
Synthesis Plan
FORMULA:C21H22N4O7S

SMILES: O=C1Nc2ccc(S(=O)(=O)N3[C@@H](C(=O)NCCc4ccccn4)CC[C@@H]3C(O)O)cc2C1=O

BIRTHDAY: 2018-11-30T03:40:31.954020
ATC: D06B
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C21H22N4O7S

SMILES: C[C@H](NC(=O)[C@@]1(C(O)O)CCCN1S(=O)(=O)c1cccc2c1C(=O)NC2=O)c1ccncc1

BIRTHDAY: 2018-11-30T03:40:31.966784
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C22H23N3O6S

SMILES: COC[C@H]1CC[C@H](C(=O)NCc2ccccc2)N1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2

BIRTHDAY: 2018-11-30T03:40:31.977482
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: CO[C@]1(C)C[C@H](C(=O)N[C@H](C)c2ccncc2)CN1S(=O)(=O)c1cccc2c1C(=O)NC2=O

BIRTHDAY: 2018-11-30T03:40:31.988545
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C24H45N5O6

SMILES: CC(C)C[C@@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(C)C)C(C)C

BIRTHDAY: 2018-11-19T08:19:12.607887
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis Plan
FORMULA:C21H30N2O6

SMILES: CC(C)[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(=O)O[C@@H]1O

BIRTHDAY: 2018-11-19T08:19:12.617417
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C24H30N4O8S

SMILES: NC1=C(CCNC(=O)[C@@H]2C[C@H](C(O)O)N(S(=O)(=O)c3ccc4c(c3)C(=O)NC4=O)C2)[C@H]2CC[C@@H](CC1)O2

BIRTHDAY: 2018-11-19T08:19:12.629992
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C18H24N2O6S

SMILES: CO[C@]1(C)CCN(S(=O)(=O)c2cccc3c2C(=O)C(=O)N3C(C)(C)CO)C1

BIRTHDAY: 2018-11-19T08:19:12.639630
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C24H28N4O5

SMILES: O=C(CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)NCC(=O)N1CCOCC1

BIRTHDAY: 2018-11-19T08:19:12.650117
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C29H23FN2O2

SMILES: O=C1[C@@H](Nc2ccccc2)C(=O)N(Cc2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1

BIRTHDAY: 2018-11-19T08:19:12.669838
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C23H38N4O6S

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N1SC=CC(=O)[C@@H]1C(C)C)C(C)C

BIRTHDAY: 2018-11-19T08:19:12.681422
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C18H24N2O6S

SMILES: COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2[C@@H](C)CCO

BIRTHDAY: 2018-11-19T08:19:12.691018
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C23H37N5O4

SMILES: CC(C)CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1/C(N)=N/O)C(C)C

BIRTHDAY: 2018-11-19T08:19:12.710757
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C23H37N5O4

SMILES: CC(C)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(/C(N)=N\O)cc1)C(C)C

BIRTHDAY: 2018-11-19T08:19:12.720994
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C22H33N5O7

SMILES: CC(C)C[C@H](NC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)O)C(C)C

BIRTHDAY: 2018-11-19T08:19:12.732442
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C29H30N4O6

SMILES: O=C(CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@@H](CO)C(=O)NCC(=O)c1ccccc1

BIRTHDAY: 2018-11-19T08:19:12.744270
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C27H41N7O6

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1/C(N)=N\O)C(=O)N[C@H](C(=O)N[C@H](CO)c1nnc(C(C)(C)C)o1)C(C)C

BIRTHDAY: 2018-11-19T08:19:12.757880
ATC: G03G
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- GONADOTROPINS AND OTHER OVULATION STIMULANTS
Synthesis Plan
FORMULA:C25H25F3N2O8S

SMILES: O=C(CC(F)(F)F)c1ccc(OCCCN2C(=O)C(=O)c3cc(S(=O)(=O)N4CCC[C@@H]4C(O)O)ccc32)cc1

BIRTHDAY: 2018-11-19T08:19:12.770717
ATC: A07E
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C22H33N5O7

SMILES: CC(C)C[C@H](NC(=O)c1cccc(/C(N)=N\O)c1)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)O)C(C)C

BIRTHDAY: 2018-11-19T08:19:12.803043
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C18H31N3O4

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](C(=O)N1CC2CC1C2)C(C)C

BIRTHDAY: 2018-11-19T08:19:12.812134
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H24N2O6S2

SMILES: C[C@@]1([C@@]2(C(O)O)CCCN2S(=O)(=O)c2cccc3c2C(=O)NC3=O)CCCSC1

BIRTHDAY: 2018-11-19T08:19:12.823501
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C38H38N8O7S

SMILES: O=C1NCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)COCC=C1Cc1nc(N2CCc3cc(S(=O)(=O)N4CC[C@H](C(O)O)C4)ccc32)[n-][o+]1

BIRTHDAY: 2018-11-19T08:19:12.840474
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C20H19FN2O5

SMILES: O=C1C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2F)[C@@H](O)O1

BIRTHDAY: 2018-11-19T08:19:12.850231
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: COC[C@@H]1C[C@H](C(=O)NCCc2cccnc2)N(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)C1

BIRTHDAY: 2018-11-19T08:19:12.871880
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: CO[C@@]1(C)[C@@H](C(=O)N[C@@H](C)c2ccccn2)CCN1S(=O)(=O)c1cccc2c1C(=O)NC2=O

BIRTHDAY: 2018-11-19T08:19:12.883235
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H18F3N3O7S

SMILES: C[C@H](NC(=O)[C@]1(C(O)O)CCN(S(=O)(=O)c2cccc3c2C(=O)NC3=O)C1)C(F)(F)F

BIRTHDAY: 2018-11-19T08:19:12.895104
ATC: P03A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis Plan
FORMULA:C19H26N4O7S

SMILES: CN(C)C(C)(C)NC(=O)[C@]1(C(O)O)CCN(S(=O)(=O)c2cccc3c2C(=O)NC3=O)C1

BIRTHDAY: 2018-11-19T08:19:12.918031
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C20H19FN2O5

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(O)OCCC1=O)c1cccc(F)c1

BIRTHDAY: 2018-11-19T08:19:12.927815
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C26H31N3O5

SMILES: CNC(=O)[C@@]1(COc2ccccc2)[C@@]2(O)[C@@H]3[C@H]4[C@H]5[C@@H]6N7C[C@H](C(O)O)C[C@@]47[C@@H]2[C@]62CNC[C@]21[C@H]53

BIRTHDAY: 2018-11-19T08:19:12.939496
ATC: V09G
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- CARDIOVASCULAR SYSTEM
Synthesis Plan
FORMULA:C24H45N5O6

SMILES: CC(C)C[C@@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(C)C)C(C)C

BIRTHDAY: 2018-11-19T08:19:12.950762
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis Plan
FORMULA:C22H18FN7OS

SMILES: N#Cc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3cc(F)ccc3-n3nccn3)sc2c1

BIRTHDAY: 2018-11-19T08:19:12.962259
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C20H19FN2O5

SMILES: O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@]1(O)OCCC1=O)c1cccc(F)c1

BIRTHDAY: 2018-11-19T08:19:12.972044
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C24H45N5O6

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(C)C)C(C)C

BIRTHDAY: 2018-11-19T08:19:12.983226
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis Plan
FORMULA:C30H41N5O6

SMILES: CC(C)CN1OC(=O)[C@@H]1OCC(=O)N[C@@H](C(=O)[C@H]1CCc2cn(cn2)CC=CCOc2cccc(c2)CN1)C(C)C

BIRTHDAY: 2018-11-19T08:19:12.995657
ATC: J01E
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- SULFONAMIDES AND TRIMETHOPRIM
Synthesis Plan
FORMULA:C21H22N4O7S

SMILES: C[C@@H](NC(=O)[C@@]1(C(O)O)CCCN1S(=O)(=O)c1cccc2c1C(=O)NC2=O)c1ccncc1

BIRTHDAY: 2018-11-19T08:19:13.008576
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C3H4N2O2

SMILES: OCc1nc[o+][n-]1

BIRTHDAY: 2018-11-19T08:19:13.014180
ATC: J01G
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- AMINOGLYCOSIDE ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H20F2N6OS

SMILES: O=C(NC1(N[C@@]23C=CC=C[C@@]2(F)N=CS3)CCCC1)c1cc(F)cc(-n2nccn2)c1

BIRTHDAY: 2018-11-19T08:19:13.026075
ATC: M09A
- MUSCULO-SKELETAL SYSTEM
- OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
- OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
Synthesis Plan
FORMULA:C20H36N6O5

SMILES: CC(C)[C@@H](NC(=O)[C@]1(C(=O)C(N)=O)[C@@H]2CC[C@H]1CNCCNCCNCCN2)C(=O)O

BIRTHDAY: 2018-11-19T08:19:13.037918
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: COC[C@H]1C[C@H](C(=O)NCCc2cccnc2)N(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)C1

BIRTHDAY: 2018-11-19T08:19:13.049249
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C17H22N2O7S

SMILES: CC(C)(CO)N1C(=O)C(=O)c2c1cccc2S(=O)(=O)N1CCC[C@@H]1C(O)O

BIRTHDAY: 2018-11-19T08:19:13.059163
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C36H34FN5O7S

SMILES: O=C(O)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(F)NCCC1=O)c1c2cccc1-c1cc(ncn1)Sc1cccc(c1)OCCCO2

BIRTHDAY: 2018-11-19T08:19:13.076303
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C39H44N6O6

SMILES: CC(C)C[C@@H](NC(=O)c1cccc([C@H]2OCC=CCOCc3cccc(c3)Nc3nccc(n3)-c3cncc2c3)c1)C(=O)N[C@@H](C(=O)O)C(C)C

BIRTHDAY: 2018-11-19T08:19:13.091058
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C15H26N2O5

SMILES: CC(C)(C)C(=O)N[C@H](C(=O)N[C@@H]1CC(=O)O[C@@H]1O)C(C)(C)C

BIRTHDAY: 2018-11-19T08:19:13.107667
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H23N3O6S

SMILES: CO[C@@]1(C)[C@@H](C(=O)NCc2ccccc2)CCN1S(=O)(=O)c1cccc2c1C(=O)NC2=O

BIRTHDAY: 2018-11-19T08:19:13.118331
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C21H30N2O6

SMILES: CC(C)[C@@H](NC(=O)COc1ccccc1C(C)(C)C)C(=O)N[C@]1(O)OCCC1=O

BIRTHDAY: 2018-11-19T08:19:13.127797
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C27H34N2O8

SMILES: CC(C)[C@]1(C(=O)N[C@@H](CC(=O)O)C(=O)O)CNCC(=O)COC[C@@H]2C=CC=C[C@@H]2COc2ccc1cc2

BIRTHDAY: 2018-11-19T08:19:13.140645
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C21H30N2O6

SMILES: CC(C)[C@@H](NC(=O)COc1cccc(C(C)(C)C)c1)C(=O)N[C@]1(O)OCCC1=O

BIRTHDAY: 2018-11-19T08:19:13.161113
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C19H31ClN4O4S

SMILES: CC(C)[C@@H](NC(=O)[C@@H](N(C)C)[C@@]12C=CC=C[C@@]1(Cl)S(=O)(=O)NCC2)C(=O)N(C)C

BIRTHDAY: 2018-11-19T08:19:13.171536
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C21H22N4O7S

SMILES: O=C1Nc2ccc(S(=O)(=O)N3C[C@@H](C(O)O)[C@@H](C(=O)NCCc4cccnc4)C3)cc2C1=O

BIRTHDAY: 2018-11-19T08:19:13.182945
ATC: G04C
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- DRUGS USED IN BENIGN PROSTATIC HYPERTROPHY
Synthesis Plan
FORMULA:C32H45N3O4

SMILES: CC(C)[C@H](NC(=O)COc1ccccc1C(C)(C)C)C(=O)N[C@H]1CCCCC(=O)Cc2cccc(c2)CCN1

BIRTHDAY: 2018-11-19T08:19:13.193622
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C29H35N3O5S

SMILES: CC(C)C[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)[C@@H]1Cc2c([nH]c3ccccc23)C=CN1S(=O)(=O)c1ccccc1

BIRTHDAY: 2018-11-19T08:19:13.206051
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H22N4O7S

SMILES: C[C@@H](NC(=O)[C@]1(C(O)O)CCN(S(=O)(=O)c2cccc3c2C(=O)NC3=O)C1)c1ccncc1

BIRTHDAY: 2018-11-19T08:19:13.217503
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C28H27N5O5

SMILES: O=C(CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)NCc1noc(-c2ccccc2)n1

BIRTHDAY: 2018-11-19T08:19:13.229243
ATC: A11H
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- OTHER PLAIN VITAMIN PREPARATIONS
Synthesis Plan
FORMULA:C17H22N2O7S

SMILES: O=C1C(=O)N(CCCCO)c2ccc(S(=O)(=O)N3CCC[C@H]3C(O)O)cc21

BIRTHDAY: 2018-11-19T08:19:13.239066
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C15H26N2O5

SMILES: CC(C)(C)C(=O)N[C@@H](C(=O)N[C@@]1(O)OCCC1=O)C(C)(C)C

BIRTHDAY: 2018-11-19T08:19:13.247399
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C27H37N3

SMILES: CC(C)[C@@H](C)n1c2ccc1C1=NC(=Cc3ccc([nH]3)CCCCCCCCC2)C=C1

BIRTHDAY: 2018-11-19T08:19:13.266368
ATC: A04A
- ALIMENTARY TRACT AND METABOLISM
- ANTIEMETICS AND ANTINAUSEANTS
- ANTIEMETICS AND ANTINAUSEANTS
Synthesis Plan
FORMULA:C17H18F3N3O7S

SMILES: O=C1Nc2ccc(S(=O)(=O)N3C[C@@H](C(O)O)C[C@@H]3C(=O)NCCC(F)(F)F)cc2C1=O

BIRTHDAY: 2018-11-19T08:19:13.278133
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C23H37N5O4

SMILES: CC(C)CNC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1/C(N)=N\O)C(C)C

BIRTHDAY: 2018-11-19T08:19:13.297793
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: CO[C@]1(C)C[C@H](C(=O)N[C@@H](C)c2ccncc2)CN1S(=O)(=O)c1cccc2c1C(=O)NC2=O

BIRTHDAY: 2018-11-19T08:19:13.308997
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C24H27N3O7

SMILES: Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CO)C(=O)N[C@@H]2CC(=O)O[C@H]2O)c1

BIRTHDAY: 2018-11-19T08:19:13.340153
ATC: B05C
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- IRRIGATING SOLUTIONS
Synthesis Plan
FORMULA:C24H33N5O5

SMILES: Cc1cccc([C@H](C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](C(=O)NCc2cn[nH]c2)C(C)C)c1C

BIRTHDAY: 2018-11-19T08:19:13.351257
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C15H26N2O5

SMILES: CC(C)(C)C(=O)N[C@H](C(=O)N[C@@]1(O)OCCC1=O)C(C)(C)C

BIRTHDAY: 2018-11-19T08:19:13.359553
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H28N4O6S

SMILES: COC[C@H]1C[C@H](C(=O)NCCCN(C)C)N(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)C1

BIRTHDAY: 2018-11-19T08:19:13.370367
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C33H47N3O3

SMILES: CC(C)[C@H](NC(=O)COc1ccccc1C(C)(C)C)C1=C2CCN1C[C@H]1C=CC=C[C@H]1CCCNCC(=O)C2

BIRTHDAY: 2018-11-19T08:19:13.390495
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C28H38N2O5S

SMILES: COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2CCCCOc1ccc(C(C)(C)C)cc1

BIRTHDAY: 2018-11-19T08:19:13.401170
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C28H36N2O6S

SMILES: COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCCCOc1ccc(C(C)(C)C)cc1

BIRTHDAY: 2018-11-19T08:19:13.412298
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C19H26N2O4S

SMILES: C[C@@H](C#N)C1=CC(=O)N(C[C@@]23CCC[C@H](C=COCCCOC2)O3)[SH]=C1

BIRTHDAY: 2018-11-30T17:22:53.402470
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C31H54N8O13

SMILES: COC(=O)[C@@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1N=C2O[C@H]([C@]3(C)CCNCC(=O)NCCNCCN3)COCCOCCOCCO[C@]2(C)N1

BIRTHDAY: 2018-11-30T17:22:53.428770
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C15H26N2O5

SMILES: CC(C)(C)C(=O)N[C@H](C(=O)N[C@@]1(O)CC(=O)CO1)C(C)(C)C

BIRTHDAY: 2018-11-30T17:22:53.437050
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: CO[C@@]1(C)C[C@H](C(=O)N[C@@H](C)c2ccncc2)CN1S(=O)(=O)c1cccc2c1C(=O)NC2=O

BIRTHDAY: 2018-11-30T17:22:53.479859
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C24H26N2O6

SMILES: O=C1C[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(OCC3CC3)cc2)[C@@H](O)O1

BIRTHDAY: 2018-11-30T17:22:53.490030
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C32H40N4O4S

SMILES: CC(C)C[C@@H](Cc1nc2cc(n1)-c1cccc(c1)CNCCCOc1cccc(c1)S2)C(=O)N[C@H](C(=O)O)C(C)C

BIRTHDAY: 2018-11-30T17:22:53.501859
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C28H38N2O5S

SMILES: COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2CCCCOc1cccc(C(C)(C)C)c1

BIRTHDAY: 2018-11-30T17:22:53.512192
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: CO[C@@]1(C)CC[C@H](C(=O)N[C@@H](C)c2ccncc2)N1S(=O)(=O)c1cccc2c1C(=O)NC2=O

BIRTHDAY: 2018-11-30T17:22:53.531636
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: COC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)C[C@@H]1C(=O)NCCc1cccnc1

BIRTHDAY: 2018-11-30T17:22:53.552510
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H28N4O8S

SMILES: CC(C)(NC(=O)[C@@]1(C(O)O)CCN(S(=O)(=O)c2cccc3c2NC(=O)C3=O)C1)N1CCOCC1

BIRTHDAY: 2018-12-02T16:06:01.800746
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C13H18BNO4

SMILES: COC[C@@H]1C[C@@H](B(O)O)N(C(=O)c2ccccc2)C1

BIRTHDAY: 2018-12-02T16:06:01.808768
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C33H37N5O7

SMILES: O=C[C@@H](CCCNC(=O)c1ccccc1)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1

BIRTHDAY: 2018-12-02T16:06:01.822762
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:C25H37N3O6

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)C(=O)O)C(C)C

BIRTHDAY: 2018-12-02T16:06:01.845108
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C15H26O3

SMILES: CC(C)[C@@H]1CC[C@]2(C)O[C@@H]1C=COCCO[C@@H]2C

BIRTHDAY: 2018-12-02T16:06:01.852031
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:C22H33N5O7

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1/C(N)=N/O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C

BIRTHDAY: 2018-12-02T16:06:01.863604
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C22H25N3O4S

SMILES: COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)N=CC2

BIRTHDAY: 2018-12-02T16:06:01.884580
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C20H20N2O6

SMILES: O=C1CO[C@](O)(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(O)c2)C1

BIRTHDAY: 2018-12-02T16:06:01.903386
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C24H35N3O7

SMILES: Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CO)C(C)C)c1

BIRTHDAY: 2018-12-02T16:06:01.914144
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H22N4O7S

SMILES: C[C@H](NC(=O)[C@]1(C(O)O)CCCN1S(=O)(=O)c1cccc2c1C(=O)NC2=O)c1ccncc1

BIRTHDAY: 2018-12-02T16:06:01.947545
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C17H22N2O7S

SMILES: O=C1C(=O)N(CCCCO)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(O)O)cc21

BIRTHDAY: 2018-12-02T16:06:01.957318
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C24H30N4O7S

SMILES: CC1(NC(=O)[C@]2(C(O)O)CCN(S(=O)(=O)c3cccc4c3NC(=O)C4=O)C2)[C@@H]2CC3C[C@@H]1CN(C3)C2

BIRTHDAY: 2018-12-02T16:06:01.969418
ATC: A05B
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:C26H34N2O3

SMILES: CCCC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)Nc1ccccc1

BIRTHDAY: 2018-12-02T16:06:01.978017
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H45N5O6

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(C)C)C(C)C

BIRTHDAY: 2018-12-03T10:42:23.598177
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis Plan
FORMULA:C24H26N2O6

SMILES: CC1(Oc2ccccc2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@]2(O)CC(=O)CO2)CC1

BIRTHDAY: 2018-12-03T10:42:23.619663
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H36N4O7

SMILES: Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)C(=O)O)[C@@H](C)C(N)=O)C(C)C)c1

BIRTHDAY: 2018-12-03T10:42:23.640273
ATC: D06A
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- ANTIBIOTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C27H34N2O7S

SMILES: CC(C)(C)c1ccccc1OCC(C)(C)N1C(=O)c2cccc(S(=O)(=O)N3CC[C@H](C(O)O)C3)c2C1=O

BIRTHDAY: 2018-12-03T10:42:23.651572
ATC: C04A
- CARDIOVASCULAR SYSTEM
- PERIPHERAL VASODILATORS
- PERIPHERAL VASODILATORS
Synthesis Plan
FORMULA:C13H14N2O6S

SMILES: O=C1NC(=O)c2c1cccc2S(=O)(=O)N1CC[C@@H](C(O)O)C1

BIRTHDAY: 2018-12-03T10:42:23.700083
ATC: R03C
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C27H19Cl2FN2O3

SMILES: O=C1[C@@H](Nc2cccc(Cl)c2Cl)[C@H](c2cccc(F)c2)C(=O)N1Cc1ccccc1-c1ccoc1

BIRTHDAY: 2018-12-03T10:42:23.711223
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: CO[C@]1(C)CC[C@H](C(=O)N[C@H](C)c2ccncc2)N1S(=O)(=O)c1cccc2c1C(=O)NC2=O

BIRTHDAY: 2018-12-03T10:42:23.722625
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C14H18N2O6S

SMILES: CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@]1(O)CC(=O)CO1

BIRTHDAY: 2018-12-03T10:42:23.731566
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H42N6O7

SMILES: CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NO)CC(C)C)C(C)C

BIRTHDAY: 2018-12-03T10:42:23.782609
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H45N5O6

SMILES: CC(C)C[C@@H](CC(=O)NO)C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(C)C)C(C)C

BIRTHDAY: 2018-12-03T19:10:49.175836
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis Plan
FORMULA:C24H26N2O6

SMILES: CC1(Oc2ccccc2C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@]2(O)CC(=O)CO2)CC1

BIRTHDAY: 2018-12-03T19:10:49.197308
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C15H26N2O5

SMILES: CC(C)(C)C(=O)N[C@@H](C(=O)N[C@H]1CC(=O)[C@H](O)O1)C(C)(C)C

BIRTHDAY: 2018-12-03T19:10:49.247502
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C15H21N3O6

SMILES: N#CC1(NC(=O)[C@@H]2CCOC[C@]3(NCC(=O)[C@@H]3C(O)O)OC2)CC1

BIRTHDAY: 2018-12-03T19:10:49.256644
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C20H28N4O6S

SMILES: COC[C@@H]1C[C@H](C(=O)NCCCN(C)C)N(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)C1

BIRTHDAY: 2018-12-03T19:10:49.267993
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C16H21N3O7S2

SMILES: COC[C@H]1CC(=O)[C@]23SS[C@](C(=O)N[C@H](CC(=O)O)C(C)C)(NC2=O)C(=O)N13

BIRTHDAY: 2018-12-03T19:10:49.279419
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: CO[C@]1(C)[C@H](C(=O)NCCc2cccnc2)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2

BIRTHDAY: 2018-12-03T19:10:49.291130
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C33H36N4O6S

SMILES: N[C@@]1(c2ccccc2)NCC(=O)Oc2cccc(c2)CCNCc2cc1c1c(S(=O)(=O)N3CC[C@H](C(O)O)C3)cccc1c2

BIRTHDAY: 2018-12-03T19:10:49.307812
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C20H26F3N3O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C

BIRTHDAY: 2018-12-01T22:29:53.856850
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C24H45N5O6

SMILES: CC(C)C[C@@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(C)C)C(C)C

BIRTHDAY: 2018-12-01T22:29:53.867993
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis Plan
FORMULA:C23H27N5O8S

SMILES: COC[C@H](NC(=O)[C@@H]1CC[C@H](COC)N1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2)C(=O)NC1(C#N)CC1

BIRTHDAY: 2018-12-01T22:29:53.880878
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C33H37N5O7

SMILES: O=C[C@H](CCCNC(=O)c1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1

BIRTHDAY: 2018-12-01T22:29:53.915609
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:C22H24N4O6S

SMILES: CO[C@@]1(C)[C@H](C(=O)N[C@H](C)c2ccncc2)CCN1S(=O)(=O)c1cccc2c1C(=O)NC2=O

BIRTHDAY: 2018-12-01T22:29:53.960387
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C32H38N4O3

SMILES: CN(C)C(C)(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1N1CCC(=O)C1)c1ccccc1

BIRTHDAY: 2018-12-01T22:29:53.982085
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C18H27N3O2

SMILES: CC(C)[C@H](NC12CCN(CC1)[C@](C)(c1ccncc1)C2)C(=O)O

BIRTHDAY: 2018-12-01T22:29:54.021397
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan