matter.farm

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

These compounds may interact with:

Serine/threonine-protein kinase/endoribonuclease IRE1

Potentially involved in: carcinoma; chromosome 6pter-p24 deletion syndrome; cancer; epilepsy; adrenocortical adenoma; adrenocortical carcinoma; cystic fibrosis; group 3 medulloblastoma; intraductal papillary-mucinous carcinoma (ipmc); invasive ductal carcinoma; lung carcinoma; medulloblastoma, large-cell; osteosarcoma; ovarian cancer; pituitary cancer; spina bifida; x-linked cerebral adrenoleukodystrophy

Disease data sourced from Pharos.

Inhibitor

FORMULA:C15H12O6

SMILES: COc1cc(C=O)cc(-c2cc(O)c(O)cc2C=O)c1O

BIRTHDAY: 2018-12-01T14:11:30.602991
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C16H23N7O6S

SMILES: CC1=C([C@H](C)N(C)C)N2N=NN[C@]2(C(=O)NCC(=O)N[C@@H](C=O)CC(=O)O)SC1=O

BIRTHDAY: 2018-12-01T14:11:30.614415
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C15H12O6

SMILES: COc1ccc(O)c(C=O)c1-c1cc(O)c(C=O)c(O)c1

BIRTHDAY: 2018-12-01T14:11:30.622517
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C15H12O6

SMILES: COc1cc(-c2c(O)cc(C=O)cc2O)cc(C=O)c1O

BIRTHDAY: 2018-12-01T14:11:30.630561
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C16H14O5

SMILES: COc1cc(C=O)ccc1-c1cc(C=O)c(O)c(OC)c1

BIRTHDAY: 2018-12-01T14:11:30.638204
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C15H12O5

SMILES: COc1ccc(-c2cc(O)c(O)cc2C=O)cc1C=O

BIRTHDAY: 2018-12-01T14:11:30.645744
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C26H24N2O4

SMILES: Cc1cccc(-c2ccccc2C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1C=O

BIRTHDAY: 2018-12-01T14:11:30.663340
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C17H24N2O4

SMILES: COc1ccc(C(=O)NCCCCN2CCOCC2)cc1C=O

BIRTHDAY: 2018-12-01T14:11:30.679520
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C15H12O6

SMILES: COc1ccc(O)c(-c2c(O)ccc(O)c2C=O)c1C=O

BIRTHDAY: 2018-12-01T14:11:30.687507
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C19H17NO4

SMILES: O=Cc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2C=O)cc1

BIRTHDAY: 2018-12-01T14:11:30.703264
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C29H39N3O6S

SMILES: CCC1=C(C(=O)N2CCOCC2)N[C@@H](C(=O)NCCC2=CC=CCCC[C@H]3CC(=O)C=C(CC2)C(=O)O3)SC1

BIRTHDAY: 2018-12-01T14:11:30.714899
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C16H14O5

SMILES: COc1cc(-c2cc(C=O)c(O)c(OC)c2)ccc1C=O

BIRTHDAY: 2018-12-01T14:11:30.722563
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C24H33F3N4O2S

SMILES: CN(C)CCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)NC2(CCCCC2)S[C@H]1C(=O)N(C)C

BIRTHDAY: 2018-12-01T14:11:30.741141
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C22H27N5O4S

SMILES: C[C@H](NC(=O)C1(C(=O)N[C@H](C)c2ccncc2)NC=CC(C)(C)S1(=O)=O)c1ccncc1

BIRTHDAY: 2018-12-25T02:03:33.468315
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C19H19NO3

SMILES: Cc1cccc(C=O)c1-c1ccccc1C(=O)N1CCOCC1

BIRTHDAY: 2018-12-25T02:03:33.484621
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C16H14O5

SMILES: COc1ccc(O)c(-c2cccc(C=O)c2OC)c1C=O

BIRTHDAY: 2018-12-25T02:03:33.492114
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C15H12O2

SMILES: Cc1cccc(-c2cccc(C=O)c2)c1C=O

BIRTHDAY: 2018-12-25T02:03:33.514389
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C15H12O6

SMILES: COc1cc(O)c(C=O)c(-c2cc(O)c(C=O)cc2O)c1

BIRTHDAY: 2018-12-25T02:03:33.579696
ATC: P02B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTITREMATODALS
Synthesis Plan
FORMULA:C22H26N2O3

SMILES: Cc1cc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)ccc1C=O

BIRTHDAY: 2018-12-25T02:03:33.595796
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C22H20N2O2

SMILES: Cc1ccc(C=O)cc1-c1ccc(C(=O)NCCc2ccccn2)cc1

BIRTHDAY: 2018-12-25T02:03:33.611600
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C16H19NO5S

SMILES: COc1cc(C2CSC2)cc(C(=O)NC[C@@H]2COC=CO2)c1O

BIRTHDAY: 2018-12-03T02:39:38.880898
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C16H23N5O7S

SMILES: C[C@H](N(C)C)[C@]1(C(N)=O)NC=C(C(=O)NCC(=O)N[C@@H](C=O)CC(=O)O)C(=O)S1

BIRTHDAY: 2018-12-03T02:39:38.891629
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C16H23N3O4

SMILES: COc1ccc(C(=O)NC(C)(C)[C@@]2(N)COCCN2)c(C=O)c1

BIRTHDAY: 2018-12-03T02:39:38.900008
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C24H27N3O6

SMILES: C[C@H](C(=O)N[C@@H](C=O)[C@H](C)C(=O)O)c1cccc(NC(=O)c2cccc(C(=O)N(C)C)c2)c1

BIRTHDAY: 2018-12-03T02:39:38.926455
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C15H12O6

SMILES: COc1ccc(O)c(-c2c(C=O)ccc(O)c2O)c1C=O

BIRTHDAY: 2018-12-03T02:39:38.934395
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C21H22N2O5

SMILES: CCNC(=O)c1cc(-c2cc(C(=O)N3CCOCC3)ccc2C=O)ccc1O

BIRTHDAY: 2018-12-03T02:39:38.943494
ATC: N01B
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, LOCAL
Synthesis Plan
FORMULA:C16H14O5

SMILES: COc1cccc(-c2c(O)ccc(OC)c2C=O)c1C=O

BIRTHDAY: 2018-12-03T02:39:38.966756
ATC: P02B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTITREMATODALS
Synthesis Plan
FORMULA:C17H16O5

SMILES: COc1cc(C=O)ccc1-c1cc(OC)c(C=O)c(OC)c1

BIRTHDAY: 2018-12-03T02:39:38.974822
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C15H12O4

SMILES: COc1cccc(-c2ccc(O)cc2C=O)c1C=O

BIRTHDAY: 2018-12-03T02:39:38.982112
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C12H17N3O4

SMILES: C=C(C(=O)NCC=O)[C@@]1(O)NC[C@H]2CNC[C@@H]1C2=O

BIRTHDAY: 2018-12-03T02:39:38.990336
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C21H31N5O2S

SMILES: CC1=C(CCCCC(=O)Nc2cccc(C(=O)NCC(C)C)c2)SN(C)C(N)=N1

BIRTHDAY: 2018-12-03T02:39:39.007191
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C26H24N2O4

SMILES: Cc1ccc(C=O)cc1-c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1

BIRTHDAY: 2018-11-30T03:41:34.971818
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis plan pending
FORMULA:C23H18O2

SMILES: O=Cc1ccc(-c2ccc(C=O)cc2-c2ccc(C3CC3)cc2)cc1

BIRTHDAY: 2018-11-30T03:41:34.979265
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C23H42N4O2S

SMILES: CN(C)CCC1=C(C(=O)N(C)C)N[C@H](C(=O)NCCC(C)(C)C)SC12CCCCC2

BIRTHDAY: 2018-11-30T03:41:34.988266
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis plan pending
FORMULA:C22H27N5O4S

SMILES: CCC1=C(C(=O)NCCc2cccnc2)N[C@@H](C(=O)NCCc2cccnc2)S(=O)(=O)C1

BIRTHDAY: 2018-11-30T03:41:34.998760
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis plan pending
FORMULA:C22H26N2O3

SMILES: Cc1cccc(-c2ccccc2C(=O)NC(C)(C)N2CCOCC2)c1C=O

BIRTHDAY: 2018-11-30T03:41:35.007001
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis plan pending
FORMULA:C15H12O6

SMILES: COc1cc(-c2cc(C=O)c(O)cc2O)cc(C=O)c1O

BIRTHDAY: 2018-11-30T03:41:35.030141
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis plan pending
FORMULA:C31H36N2O6

SMILES: COc1ccc(C=O)cc1-c1c(O)cc(C(=O)NCCCCCCCC(=O)NCCc2ccccc2)cc1O

BIRTHDAY: 2018-11-30T03:41:35.040553
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis plan pending
FORMULA:C20H27N5O6S

SMILES: CCC1=C(C(=O)N[C@H](CO)C(=O)O)N[C@H](C(=O)NCC(=O)NCCc2cccnc2)SC1

BIRTHDAY: 2018-11-30T03:41:35.058332
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis plan pending
FORMULA:C15H12O6

SMILES: COc1ccc(O)c(-c2cc(O)cc(O)c2C=O)c1C=O

BIRTHDAY: 2018-11-30T03:41:35.066194
ATC: P02B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTITREMATODALS
Synthesis plan pending
FORMULA:C24H48N2O2

SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(N)=O

BIRTHDAY: 2018-11-30T03:41:35.080970
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis plan pending
FORMULA:C15H12O2

SMILES: Cc1cc(C=O)ccc1-c1ccccc1C=O

BIRTHDAY: 2018-11-19T08:13:11.809807
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
FORMULA:C7H14N2

SMILES: C[C@@H]1CNCC=CN1C

BIRTHDAY: 2018-11-19T08:13:11.814994
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C17H13NO7

SMILES: COc1c(O)ccc(C=O)c1-c1c(O)cc(O)c2oc(C)nc(=O)c12

BIRTHDAY: 2018-11-19T08:13:11.824871
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis plan pending
FORMULA:C24H29N3O5

SMILES: CCNC(=O)c1cc(-c2cc(C(=O)NCCCN3CCOCC3)ccc2C=O)ccc1O

BIRTHDAY: 2018-11-19T08:13:11.834647
ATC: D04A
- DERMATOLOGICALS
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
Synthesis plan pending
FORMULA:C19H19NO5

SMILES: CCCCNC(=O)c1ccc(C=O)c(-c2cc(O)c(C=O)c(O)c2)c1

BIRTHDAY: 2018-11-19T08:13:11.842809
ATC: V09G
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- CARDIOVASCULAR SYSTEM
Synthesis plan pending
FORMULA:C14H19NO4

SMILES: CCCNC(=O)c1cc(CCC)c(O)c(C=O)c1O

BIRTHDAY: 2018-11-19T08:13:11.850093
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C15H12O2

SMILES: Cc1cccc(C=O)c1-c1ccccc1C=O

BIRTHDAY: 2018-11-19T08:13:11.856526
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis plan pending
FORMULA:C21H30N4O5S

SMILES: C[C@@H](C1=CNCS(=O)(=O)[C@@]1(C)C(=O)Nc1ccccc1C(=O)N1CCOCC1)N(C)C

BIRTHDAY: 2018-11-19T08:13:11.868105
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C19H19NO3

SMILES: Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)ccc1C=O

BIRTHDAY: 2018-11-19T08:13:11.875538
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis plan pending
FORMULA:C15H12O6

SMILES: COc1cc(-c2cc(O)cc(C=O)c2O)cc(C=O)c1O

BIRTHDAY: 2018-11-19T08:13:11.883667
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis plan pending
FORMULA:C27H28N2O4

SMILES: CCNC(=O)c1ccc(NC(=O)c2ccc(-c3cc(C(C)C)ccc3C=O)cc2O)cc1C

BIRTHDAY: 2018-11-19T08:13:11.892929
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis plan pending
FORMULA:C22H27N3O4

SMILES: CN(C)C(=O)c1ccccc1-c1cc(O)cc(C=O)c1C(=O)NC(C)(C)N(C)C

BIRTHDAY: 2018-11-19T08:13:11.902124
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis plan pending
FORMULA:C16H24N4O7S2

SMILES: C[C@H](NC(=O)[C@]1(C(=O)NCC(=O)O)NC=CC(C)(C)S1(=O)=O)[C@H]1CNCSC1=O

BIRTHDAY: 2018-11-19T08:13:11.913997
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis plan pending
FORMULA:C23H24N4O7

SMILES: CNC(=O)CNC(=O)CCCn1c(=O)[nH]c2cccc(-c3cc(C=O)c(O)c(OC)c3)c2c1=O

BIRTHDAY: 2018-11-19T08:13:11.925183
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C23H26N2O5

SMILES: CCCCNC(=O)c1cc(-c2cc(C(=O)N3CCOCC3)ccc2C=O)ccc1O

BIRTHDAY: 2018-11-19T08:13:11.934381
ATC: P02D
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTICESTODALS
Synthesis plan pending
FORMULA:C29H47N5O6S

SMILES: C[C@@H](NC(=O)[C@]1(C(=O)NC2(C(=O)O)CCCCC2)NC([C@@H](C)N(C)C)=C2CCCC[C@@H]2S1)C(=O)N[C@@H](CO)C1CC1

BIRTHDAY: 2018-11-19T08:13:11.949084
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis plan pending
FORMULA:C15H12O6

SMILES: COc1cc(-c2c(O)ccc(C=O)c2O)c(O)cc1C=O

BIRTHDAY: 2018-11-19T08:13:11.957500
ATC: R05C
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis plan pending
FORMULA:C28H56N2O3

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

BIRTHDAY: 2018-11-19T08:13:11.966556
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C29H38N4O3S

SMILES: CCC1=C(C2CC2)N[C@H](C(=O)NCC[C@@H]2CC(=O)Nc3ccccc3CC3=CN(CCC2=O)CC3)SC1

BIRTHDAY: 2018-11-19T08:13:11.986379
ATC: R05C
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis plan pending
FORMULA:C27H43N3O3

SMILES: CCCCCCCCCCCCCc1nc(-c2ccc(C(=O)N[C@@H](CO)CCC)cc2)no1

BIRTHDAY: 2018-11-19T08:13:11.995493
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis plan pending
FORMULA:C17H16O5

SMILES: COc1ccc(OC)c(-c2c(C=O)cccc2OC)c1C=O

BIRTHDAY: 2018-11-19T08:13:12.003597
ATC: R05C
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis plan pending
FORMULA:C30H43N5O6S

SMILES: C[C@H](NC(=O)[C@@]12CCCCC1=CN[C@@](C(=O)N[C@H](C(=O)O)c1ccccc1)([C@@H](C)N(C)C)S2)C(=O)N[C@H](CO)C1CC1

BIRTHDAY: 2018-11-19T08:13:12.017592
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis plan pending
FORMULA:C22H20O6

SMILES: COc1ccc(-c2c(O)cc(CCc3ccc(O)c(O)c3)cc2O)cc1C=O

BIRTHDAY: 2018-11-19T08:13:12.026217
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis plan pending
FORMULA:C17H25N5O7S

SMILES: CN(C)CCC1=C(C(N)=O)N[C@H](C(=O)NCCC(=O)N[C@H](C=O)CC(=O)O)SC1=O

BIRTHDAY: 2018-11-19T08:13:12.036910
ATC: A11H
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- OTHER PLAIN VITAMIN PREPARATIONS
Synthesis plan pending
FORMULA:C17H17N

SMILES: C1=CCc2cccc(-c3ccccn3)c2CCC1

BIRTHDAY: 2018-11-19T08:13:12.058437
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C29H59NO2

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

BIRTHDAY: 2018-11-19T08:13:12.065965
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C14H16N3O5P

SMILES: C[C@H](CC1=NC(=O)[C@@H](N)PO1)NC(=O)c1ccccc1C(=O)O

BIRTHDAY: 2018-11-19T08:13:12.082750
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C28H35N3O3

SMILES: CN(C)C(=O)c1ccccc1C(=O)NC(C)(C)C(C)(C)CNC(=O)c1cccc2c1C=CCC2

BIRTHDAY: 2018-11-19T08:13:12.100029
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis plan pending
FORMULA:C21H37N3O8

SMILES: C[C@H](NC(=O)[C@]1(C(=O)N[C@@H](CO)C(=O)O)CNC[C@](C)([C@@H](C)C(C)(C)C)COC1)C(=O)O

BIRTHDAY: 2018-11-19T08:13:12.111676
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis plan pending
FORMULA:C15H12O2

SMILES: Cc1cc(C=O)ccc1-c1ccc(C=O)cc1

BIRTHDAY: 2018-11-19T08:13:12.133149
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C15H12O6

SMILES: COc1c(-c2cc(O)cc(O)c2C=O)ccc(O)c1C=O

BIRTHDAY: 2018-11-19T08:13:12.141328
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis plan pending
FORMULA:C19H19NO3

SMILES: Cc1cccc(-c2ccccc2C(=O)N2CCOCC2)c1C=O

BIRTHDAY: 2018-11-19T08:13:12.148963
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis plan pending
FORMULA:C20H29N3O9S

SMILES: C[C@H](NC(=O)C1=C(C(=O)NC(CO)CO)C(=O)SC(C)(C)N1)[C@@]1(C)OCOCC(=O)CC1=O

BIRTHDAY: 2018-11-19T08:13:12.160582
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis plan pending
FORMULA:C19H19NO3

SMILES: Cc1cc(C=O)ccc1-c1ccc(C(=O)N2CCOCC2)cc1

BIRTHDAY: 2018-11-19T08:13:12.168020
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis plan pending
FORMULA:C12H22N2S2

SMILES: CN(C)[C@@]12CCCC[C@]3(CCC1)SSCN32

BIRTHDAY: 2018-11-19T08:13:12.174976
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis plan pending
FORMULA:C16H14O5

SMILES: COc1ccc(C=O)cc1-c1cc(C=O)c(O)c(OC)c1

BIRTHDAY: 2018-11-19T08:13:12.183096
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis plan pending
FORMULA:C24H18O6

SMILES: C[C@@]1(c2cccc(-c3ccccc3C=O)c2C=O)C=C2C(O)=CC=C[C@@]2(O)C(=O)O1

BIRTHDAY: 2018-11-19T08:13:12.192499
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis plan pending
FORMULA:C15H12O6

SMILES: COc1cc(-c2c(O)ccc(C=O)c2O)cc(C=O)c1O

BIRTHDAY: 2018-11-19T08:13:12.200512
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis plan pending
FORMULA:C13H15N3O7S

SMILES: CCc1[nH]c(=O)sc(=O)c1C(=O)NCC(=O)N[C@H](C=O)CC(=O)O

BIRTHDAY: 2018-11-19T08:13:12.209851
ATC: A11H
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- OTHER PLAIN VITAMIN PREPARATIONS
Synthesis plan pending
FORMULA:C20H27NO3

SMILES: COc1cc([C@@H]2[C@H](C)[C@H]3C[C@@H]4CCC[C@@](C)(C3)N42)cc(C=O)c1O

BIRTHDAY: 2018-11-19T08:13:12.218151
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis plan pending
FORMULA:C21H30N4O5S

SMILES: C[C@@H](C1=C[C@@](C)(C(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)CN1)N(C)C

BIRTHDAY: 2018-11-19T08:13:12.229304
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 pending
FORMULA:C25H50N2O2

SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(N)=O

BIRTHDAY: 2018-11-19T08:13:12.236539
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis plan pending
FORMULA:C16H13NO5

SMILES: CNC(=O)c1c(C=O)cccc1-c1c(C=O)ccc(O)c1O

BIRTHDAY: 2018-11-19T08:13:12.245144
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis plan pending
FORMULA:C20H33N5O7S

SMILES: CNC(=O)[C@]1(C(C)C)SC(=O)NC([C@H](C)N(C)C)=C1C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)O

BIRTHDAY: 2018-11-19T08:13:12.265649
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis plan pending
FORMULA:C17H16O5

SMILES: COc1ccc(C=O)c(-c2cccc(C=O)c2OC)c1OC

BIRTHDAY: 2018-11-19T08:13:12.279620
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis plan pending
FORMULA:C21H21NO5

SMILES: COc1ccc(O)c(-c2cc(O)c3c(c2)C[C@H]2CNC[C@@H]3C(=O)C2)c1C=O

BIRTHDAY: 2018-11-19T08:13:12.288611
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis plan pending
FORMULA:C21H30N4O5S

SMILES: C[C@@H]1NC(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)=C(CCN(C)C)CS1(=O)=O

BIRTHDAY: 2018-11-19T08:13:12.299102
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:C13H21N3O2S

SMILES: CCCCCC1=C(N[SH](=O)=O)CCC=CN=CN=C1

BIRTHDAY: 2018-11-19T08:13:12.306616
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C19H34N4O5S

SMILES: CC1=C(CCN(C)C)[C@@H](C(=O)NCCC(=O)N[C@@H](CO)C2CC2)S(=O)(=O)[C@@H](C)N1

BIRTHDAY: 2018-11-19T08:13:12.316504
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis plan pending
FORMULA:C17H16O5

SMILES: COc1cccc(-c2c(C=O)ccc(OC)c2OC)c1C=O

BIRTHDAY: 2018-11-19T08:13:12.332421
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis plan pending
FORMULA:C19H23N5O7S

SMILES: Cc1cc(=O)n2c(C(=O)NCC(=O)N[C@H](C=O)CC(=O)O)c(CCN(C)C)c(=O)sc2n1

BIRTHDAY: 2018-11-19T08:13:12.343678
ATC: R01A
- RESPIRATORY SYSTEM
- NASAL PREPARATIONS
- DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C22H26N4O5

SMILES: CNC(=O)c1ccccc1[C@H](C)NC(=O)c1c(NC(=O)C(=O)N(C)C)cccc1OC

BIRTHDAY: 2018-11-19T08:13:12.353844
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C15H12O6

SMILES: COc1ccc(O)c(-c2c(O)cc(O)cc2C=O)c1C=O

BIRTHDAY: 2018-11-19T08:13:12.361857
ATC: R05C
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis plan pending
FORMULA:C16H17N3O4

SMILES: COc1ccc(C=O)cc1-c1nc(N2CCOCC2)cc(=O)[nH]1

BIRTHDAY: 2018-11-30T17:23:56.574119
ATC: A12C
- ALIMENTARY TRACT AND METABOLISM
- MINERAL SUPPLEMENTS
- OTHER MINERAL SUPPLEMENTS
Synthesis Plan
FORMULA:C15H12O4

SMILES: Cc1cc(C=O)cc(-c2c(C=O)ccc(O)c2O)c1

BIRTHDAY: 2018-11-30T17:23:56.628097
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:C15H12O4

SMILES: Cc1cc(-c2c(O)cc(C=O)cc2O)ccc1C=O

BIRTHDAY: 2018-11-30T17:23:56.635196
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C15H12O4

SMILES: Cc1cc(-c2cc(C=O)c(O)cc2O)ccc1C=O

BIRTHDAY: 2018-11-30T17:23:56.642217
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C15H12O6

SMILES: COc1ccc(O)c(C=O)c1-c1c(O)ccc(O)c1C=O

BIRTHDAY: 2018-11-30T17:23:56.665778
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C29H59NO3

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)CO

BIRTHDAY: 2018-11-30T17:23:56.673464
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C11H12N6OS

SMILES: CSc1nc(-c2n[nH+]c(N)[n-]c2=O)cc(C2CC2)n1

BIRTHDAY: 2018-12-02T16:07:04.468206
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C26H24N2O5

SMILES: Cc1cccc(-c2cccc(O)c2C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1C=O

BIRTHDAY: 2018-12-02T16:07:04.501452
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C24H29N5O5

SMILES: CNC(=O)CCNC(=O)c1ccc(CCNC(=O)c2ccc(NC(=O)C(=O)N(C)C)cc2)cc1

BIRTHDAY: 2018-12-02T16:07:04.543017
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C21H21NO4

SMILES: COc1c(O)ccc(C=O)c1-c1cccc2c1C[C@@H]1CNC[C@@H]2CC1=O

BIRTHDAY: 2018-12-02T16:07:04.590393
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C15H12O6

SMILES: COc1ccc(O)c(C=O)c1-c1c(C=O)ccc(O)c1O

BIRTHDAY: 2018-12-02T16:07:04.598673
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C26H23N3O6

SMILES: COc1c(O)cc(C=O)c2c3cc(cc12)COCC=CCOCc1coc(c1)-c1ccnc(n1)N3

BIRTHDAY: 2018-12-02T16:07:04.609729
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H31F3N4O2S

SMILES: C[C@H](N(C)C)[C@]12CCCCC1=CN[C@](C(=O)Nc1ccccc1C(F)(F)F)(C(=O)N(C)C)S2

BIRTHDAY: 2018-12-02T16:07:04.622112
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C15H12O6

SMILES: COc1cc(-c2cc(O)c(C=O)cc2O)cc(C=O)c1O

BIRTHDAY: 2018-12-03T10:43:26.490854
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C15H12O6

SMILES: COc1cc(C=O)c(O)c(-c2cc(C=O)c(O)cc2O)c1

BIRTHDAY: 2018-12-03T10:43:26.499044
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C34H56N6O5S

SMILES: CC(C)[C@@H](NC(=O)[C@@]1(C(=O)N[C@H](C)C(=O)N[C@@H](CO)C2CC2)S[C@H]([C@H](C)N(C)C)NC2=C1CCCC2)C(=O)NC(C1CC1)C1CC1

BIRTHDAY: 2018-12-03T10:43:26.514104
ATC: J01E
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- SULFONAMIDES AND TRIMETHOPRIM
Synthesis Plan
FORMULA:C39H43F3N6O4

SMILES: CC1=C2C=CC3=CN(CCCOC[C@@H](c4ccccc4-c4cccc(C=O)c4C(F)(F)F)N1CC2)C[C@@]3(C(=O)N1CCOCC1)c1n[nH]c(N)c1C

BIRTHDAY: 2018-12-03T10:43:26.534267
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C20H27N5O6S

SMILES: C[C@H](NC(=O)CNC(=O)C1=CNC(C)(C)S[C@H]1C(=O)N[C@@H](CO)C(=O)O)c1ccncc1

BIRTHDAY: 2018-12-03T10:43:26.562199
ATC: D06B
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C15H12O6

SMILES: COc1c(-c2ccc(O)c(C=O)c2O)ccc(O)c1C=O

BIRTHDAY: 2018-12-03T10:43:26.602842
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C24H26O5

SMILES: COc1ccc(C=O)cc1-c1cc(C23CC4C[C@H](C2)O[C@H](C4)C3)cc(OC)c1O

BIRTHDAY: 2018-12-03T10:43:26.612164
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C34H35N5O6S

SMILES: CNC(=O)C1=C(CCN(C)C)C(=O)S[C@@H](C(=O)Nc2ccc3c(c2)-c2cccc(c2)OCC=CCOc2ccc(cc2)C(=O)N3)N1

BIRTHDAY: 2018-12-03T10:43:26.634166
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C19H34N4O5S

SMILES: C[C@H](NC(=O)[C@@H]1NC([C@@H](C)N(C)C)=CC(C)(C)S1(=O)=O)C(=O)N[C@H](CO)C1CC1

BIRTHDAY: 2018-12-03T19:11:51.358913
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C16H14O5

SMILES: COc1cccc(-c2c(C=O)ccc(O)c2OC)c1C=O

BIRTHDAY: 2018-12-03T19:11:51.366438
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C23H24N2O5

SMILES: O=Cc1cc(C(=O)N2CCOCC2)ccc1-c1ccc(C(=O)N2CCOCC2)cc1

BIRTHDAY: 2018-12-03T19:11:51.415468
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C15H12O3

SMILES: Cc1cc(-c2ccc(C=O)cc2)cc(C=O)c1O

BIRTHDAY: 2018-12-03T19:11:51.429973
ATC: B02A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- ANTIFIBRINOLYTICS
Synthesis Plan
FORMULA:C28H49N5O4S

SMILES: CC(=O)[C@H](NC(=O)[C@@]1(C(=O)N(C)CC(=O)NC(C)(C)C)SC2(CCCCC2)NC=C1[C@@H](C)N(C)C)C(C)C

BIRTHDAY: 2018-12-03T19:11:51.442102
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C30H49N5O6S

SMILES: CN(C)CCC1=C(C(=O)NC2(C(=O)O)CCCCC2)N[C@H](C(=O)NCCC(=O)N[C@H](CO)C2CC2)SC12CCCCC2

BIRTHDAY: 2018-12-03T19:11:51.455075
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C22H38N4O5S

SMILES: CN(C)CCC1=C(C(=O)N[C@@H](CO)C2CC2)N[C@@H](C(=O)N2CCCCCCC2)S(=O)(=O)C1

BIRTHDAY: 2018-12-03T19:11:51.473691
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H27NO4

SMILES: O=Cc1ccc(C(=O)NCC[C@H]2CCCCO2)cc1-c1ccc(C2=CCCO2)cc1

BIRTHDAY: 2018-12-01T22:30:57.283737
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis Plan
FORMULA:C25H31N3O3

SMILES: COc1cc2c(cc1C=O)C(c1ccc(C(=O)NCCCCN(C)C)cc1)=NCCC2

BIRTHDAY: 2018-12-01T22:30:57.325427
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C26H43N7O5S

SMILES: CC(=O)[C@H](NC(=O)[C@H]1S[C@@H]2CNNCN2C(CCN(C)C)=C1C(=O)NCCC(=O)N[C@H](CO)C1CC1)C1CC1

BIRTHDAY: 2018-12-01T22:30:57.338050
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C22H24N2O4

SMILES: CCCNC(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2C=O)cc1

BIRTHDAY: 2018-12-01T22:30:57.346629
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C13H18O3Si

SMILES: COc1c(O)ccc([C@@H]2CCCC[SiH2]2)c1C=O

BIRTHDAY: 2018-12-01T22:30:57.353911
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C26H23N3O7

SMILES: COc1cc(-c2cc3c(cc2O)Nc2ccc(C(=O)N4CCOCC4)cc2C(=O)N3)cc(C=O)c1O

BIRTHDAY: 2018-12-01T22:30:57.365121
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C23H31F3N4O2S

SMILES: C[C@H](C1=C2CCCC[C@H]2S[C@](C(=O)Nc2ccccc2C(F)(F)F)(C(=O)N(C)C)N1)N(C)C

BIRTHDAY: 2018-12-01T22:30:57.376517
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C26H35N3O5S

SMILES: CCc1c(C(=O)N[C@@H](C)[C@H]2COCCCCC(=O)CCCNc3ccc(cc3)C2)[nH]c(=O)sc1=O

BIRTHDAY: 2018-12-01T22:30:57.410822
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:C31H41NO3

SMILES: CCNC(=O)c1cccc(-c2ccc(C3=CCCCCCCCCCCCCC3)cc2C=O)c1O

BIRTHDAY: 2018-12-01T22:30:57.435449
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan