matter.farm

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

These compounds may interact with:

Gamma-aminobutyric acid receptor subunit alpha-2

Potentially involved in: alcohol dependence; kidney cancer; carcinoma; conduct disorder; cannabis dependence; substance abuse; intermittent explosive disorder; wolfram syndrome; antisocial personality disorder; acute stress disorder; nicotine dependence; alcoholic intoxication, chronic; anxiety disorders; autistic disorder; heroin dependence; cocaine-related disorders; cocaine dependence; cannabis use; adult high grade glioma; astrocytic glioma

Disease data sourced from Pharos.

Antagonist

FORMULA:C20H21N3O4

SMILES: CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C#CC(C)(C)O)ccc1-2

BIRTHDAY: 2018-12-01T14:11:33.380401
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C23H23N5O

SMILES: C1=NN2N=C(c3ccccc3)N[C@]23C(=C1OCc1ccncc1)C1CCC3CC1

BIRTHDAY: 2018-12-01T14:11:33.389805
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C25H21N5O

SMILES: N#Cc1ccccc1COC1=C2[C@@H]3C=C[C@@H](CC3)[C@@]23NC(c2ccccc2)=NN3N=C1

BIRTHDAY: 2018-12-01T14:11:33.399545
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C19H15N7O

SMILES: NC1=NCc2c(OCc3ccccn3)nn3c(-c4ccccc4)nnc3c21

BIRTHDAY: 2018-12-01T14:11:33.418823
ATC: R05C
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis Plan
FORMULA:C36H45N5O2

SMILES: C[C@@]1(OC2=C3C(=NN4N=CN[C@@]24c2ccccc2)[C@@H]2C=C[C@@H]3CC2)CCc2ccc(cc2)NCCCCCCCCCO1

BIRTHDAY: 2018-12-01T14:11:33.432398
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C23H23N5O

SMILES: C1=NN2N=C(c3ccccc3)N[C@@]23C(=C1OCc1ccncc1)C1CCC3CC1

BIRTHDAY: 2018-12-01T14:11:33.441756
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C24H19NO3

SMILES: COc1ccccc1C(=O)c1cc2c(cn1)C=C[C@@H](C(=O)c1ccccc1)C2

BIRTHDAY: 2018-12-01T14:11:33.450201
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C21H17N3OS

SMILES: CSc1nc2c(c(-c3ccccc3)n1)N(C(=O)c1ccccc1)CC=C2

BIRTHDAY: 2018-12-01T14:11:33.459618
ATC: A12A
- ALIMENTARY TRACT AND METABOLISM
- MINERAL SUPPLEMENTS
- CALCIUM
Synthesis Plan
FORMULA:C21H24N2O5

SMILES: COC(=O)c1cc(C(=O)c2ccc(OC)cc2)cnc1OCC1CCNCC1

BIRTHDAY: 2018-12-01T14:11:33.468634
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C15H10N4

SMILES: N#Cc1ccc(-c2[nH]cnc2-c2ccncc2)cc1

BIRTHDAY: 2018-12-25T02:03:36.244089
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C21H24N2O5

SMILES: COC(=O)c1ccnc(C(=O)c2ccccc2OC)c1O[C@]1(C)CCCCN1

BIRTHDAY: 2018-12-25T02:03:36.253698
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C23H23N5O

SMILES: C1=C2C3CCC(CC3)[C@]23NC(c2ccccc2)=NN3N=C1OCc1ccccn1

BIRTHDAY: 2018-12-25T02:03:36.272798
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C18H16N2O2S

SMILES: COc1ccc(C(=O)c2ccc(C3=CC=CNCS3)nc2)cc1

BIRTHDAY: 2018-12-25T02:03:36.335907
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C16H13N5O3

SMILES: COc1ccc(C(=O)c2cncc(-c3[n-]c(=O)c(N)n[nH+]3)c2)cc1

BIRTHDAY: 2018-12-25T02:03:36.354268
ATC: L02A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONES AND RELATED AGENTS
Synthesis Plan
FORMULA:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC=C(C(F)(F)F)[C@H]1NC2=O

BIRTHDAY: 2018-12-03T02:39:41.740802
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H25N5O3Si

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC=C(C#CC[Si](C)(C)C)[C@H]1NC2=O

BIRTHDAY: 2018-12-03T02:39:41.750542
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H15F6N3O

SMILES: O=C(Nc1ccccc1C(F)(F)F)c1cnccc1-c1cnccc1-c1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-12-03T02:39:41.761947
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC(C(F)(F)F)=C[C@H]1NC2=O

BIRTHDAY: 2018-12-03T02:39:41.781238
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H17N5O2

SMILES: COc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1

BIRTHDAY: 2018-12-03T02:39:41.791221
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C20H21NO2

SMILES: COc1cccc(C(=O)c2c(C(C)C)cnc3c2CC=CC3)c1

BIRTHDAY: 2018-12-03T02:39:41.798621
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C20H23NO2

SMILES: COc1ccc(C(=O)c2cnc(C(C)C)c3c2CCCC3)cc1

BIRTHDAY: 2018-12-03T02:39:41.815793
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C17H15F3N2O6

SMILES: COC(=O)[C@@H]1[C@@H]2O[C@@H](COc3ncc(-c4cccc(C(F)(F)F)c4)n32)C1(O)O

BIRTHDAY: 2018-12-03T02:39:41.826398
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C19H28ClN5O2

SMILES: CC(C)(C)C(C)(C)COC(=O)c1nc2c([nH]1)N[C@@]1(Cl)C=CC=C[C@H]1N[C@H]2N

BIRTHDAY: 2018-12-03T02:39:41.862160
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H32N4O

SMILES: CCC(C)(C)CCOC1=C2C(=NN3N=CN[C@]13c1ccccc1)C1CCC2CC1

BIRTHDAY: 2018-12-03T02:39:41.899150
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C20H21NO2

SMILES: COc1cccc(C(=O)c2cc3c(c(C(C)C)n2)CC=CC3)c1

BIRTHDAY: 2018-11-30T03:41:37.730842
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:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(N)C=CC=C(C(F)(F)F)[C@H]1NC2=O

BIRTHDAY: 2018-11-30T03:41:37.740775
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C21H23NO3

SMILES: COc1cc(OC)cc(C(=O)c2c(C(C)C)cnc3c2CC=CC3)c1

BIRTHDAY: 2018-11-30T03:41:37.748995
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC=C(C(F)(F)F)[C@@H]1NC2=O

BIRTHDAY: 2018-11-30T03:41:37.758874
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C20H21NO2

SMILES: COc1ccc(C(=O)c2c(C(C)C)cnc3c2CCC=C3)cc1

BIRTHDAY: 2018-11-30T03:41:37.766336
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis plan pending
FORMULA:C17H17N3O5

SMILES: CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C(=O)OC)ccc1-2

BIRTHDAY: 2018-11-30T03:41:37.775213
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis plan pending
FORMULA:C35H27N7O3

SMILES: CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C#Cc3ccc4cc3C=Cc3cccc(c3)Nc3ccnc(n3)N4)ccc1-2

BIRTHDAY: 2018-11-30T03:41:37.797432
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis plan pending
FORMULA:C15H8F6O

SMILES: O=C(c1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-30T03:41:37.805749
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis plan pending
FORMULA:C18H21N5O4

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(N)C=CC=C(C#CC(C)(C)O)[C@@H]1NC2=O

BIRTHDAY: 2018-11-30T03:41:37.824642
ATC: V09A
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- CENTRAL NERVOUS SYSTEM
Synthesis plan pending
FORMULA:C15H13N5O3

SMILES: CCOC(=O)c1cnc2n1-c1c(C#N)cccc1C(=O)N[C@@H]2N

BIRTHDAY: 2018-11-30T03:41:37.834136
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis plan pending
FORMULA:C20H21NO2

SMILES: COc1ccccc1C(=O)c1nc2c(cc1C(C)C)CC=CC2

BIRTHDAY: 2018-11-30T03:41:37.841462
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis plan pending
FORMULA:C21H24N2O5

SMILES: COC(=O)c1ccc(C(=O)c2ccc(OC)cc2)c(OC[C@H]2CCCNC2)n1

BIRTHDAY: 2018-11-30T03:41:37.850641
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis plan pending
FORMULA:C15H13N3O3S5

SMILES: CCOC(=O)c1cn2c(n1)CC(=O)N(C)c1cc3c(cc1-2)SSSSS3

BIRTHDAY: 2018-11-19T08:15:46.435787
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis plan pending
FORMULA:C18H21N5O4

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC=C(C#CC(C)(C)O)[C@@H]1NC2=O

BIRTHDAY: 2018-11-19T08:15:46.445666
ATC: V09A
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- CENTRAL NERVOUS SYSTEM
Synthesis plan pending
FORMULA:C20H23NO2

SMILES: COc1ccccc1C(=O)c1cnc2c(c1C(C)C)CCCC2

BIRTHDAY: 2018-11-19T08:15:46.453057
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis plan pending
FORMULA:C9H10N6O4

SMILES: CCOC(=O)[C@@]12N=C(N)C(=O)C(=O)N1N=CN=C2N

BIRTHDAY: 2018-11-19T08:15:46.471813
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C17H18O5

SMILES: COc1cccc(C(=O)c2c(OC)ccc(OC)c2OC)c1

BIRTHDAY: 2018-11-19T08:15:46.479529
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:C20H21N3O4

SMILES: CCOC(=O)c1cnc2n1CC(=O)N(C)c1c(C#CC(C)(C)O)cccc1-2

BIRTHDAY: 2018-11-19T08:15:46.488624
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C22H28FN5O4

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(F)C=CC=C[C@@H]1N[C@@]21CC[C@@H]2CCC[C@]1(OC(C)=O)N2

BIRTHDAY: 2018-11-19T08:15:46.499888
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis plan pending
FORMULA:C22H17F3N6O2

SMILES: O=C(Nc1cccc2c1NC=CCO2)c1ccncc1C1=CN2C=CC=N[C@@]2(C(F)(F)F)N1

BIRTHDAY: 2018-11-19T08:15:46.519291
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis plan pending
FORMULA:C34H67N13O4S2

SMILES: CCOC1=C(C(=O)OC)C=NN2CCNC[C@H](C(=O)C#N)NCCNCCNCCNCCNCCNCCNCCNCCNCCSSCC[C@@H]12

BIRTHDAY: 2018-11-19T08:15:46.536091
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(N)C=CC=C(C(F)(F)F)[C@@H]1NC2=O

BIRTHDAY: 2018-11-19T08:15:46.546241
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C18H21N5O4

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(N)C=CC(C#CC(C)(C)O)=C[C@@H]1NC2=O

BIRTHDAY: 2018-11-19T08:15:46.555720
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C19H11F4N5O

SMILES: O=C(Nc1ccccc1F)c1ccc(-c2cnc3nc(C(F)(F)F)ccn23)nc1

BIRTHDAY: 2018-11-19T08:15:46.565970
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis plan pending
FORMULA:C22H26N2O5

SMILES: COC(=O)c1cc(C(=O)c2ccc(OC)cc2)cnc1OCC1CCN(C)CC1

BIRTHDAY: 2018-11-19T08:15:46.575166
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C33H36N8O3S

SMILES: CCOC1=NN(CC(=O)Nc2nc3cn2CCCCOc2cccc(c2)CNCC3)Cc2c1sc1ccc(-c3cc[nH]n3)cc21

BIRTHDAY: 2018-11-19T08:15:46.588763
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis plan pending
FORMULA:C9H12HgN5O3

SMILES: CCOC(=O)c1nc2c([nH]1)NC(=O)[C@](N)([Hg])NC2

BIRTHDAY: 2018-11-19T08:15:46.597289
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(C(F)(F)F)C=CC=C[C@]1(N)NC2=O

BIRTHDAY: 2018-11-19T08:15:46.607625
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C18H21N5O4

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(N)C=CC(C#CC(C)(C)O)=C[C@H]1NC2=O

BIRTHDAY: 2018-11-19T08:15:46.617140
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C19H25N5O3Si

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(N)C=CC=C(C#CC[Si](C)(C)C)[C@@H]1NC2=O

BIRTHDAY: 2018-11-19T08:15:46.636301
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C23H23N5O

SMILES: C1=NN2N=C(c3ccccc3)N[C@@]2(OCc2ccncc2)C2=C1C1CCC2CC1

BIRTHDAY: 2018-11-19T08:15:46.646107
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis plan pending
FORMULA:C21H24N2O5

SMILES: COC(=O)c1cnc(C(=O)c2ccccc2OC)c(OC[C@H]2CCCNC2)c1

BIRTHDAY: 2018-11-19T08:15:46.655549
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis plan pending
FORMULA:C18H21N5O4

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC(C#CC(C)(C)O)=C[C@H]1NC2=O

BIRTHDAY: 2018-11-19T08:15:46.665027
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C20H21NO2

SMILES: COc1ccccc1C(=O)c1cc2c(c(C(C)C)n1)CC=CC2

BIRTHDAY: 2018-11-19T08:15:46.672439
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis plan pending
FORMULA:C20H21NO2

SMILES: COc1ccc(C(=O)c2ncc(C(C)C)c3c2CC=CC3)cc1

BIRTHDAY: 2018-11-19T08:15:46.689227
ATC: A11H
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- OTHER PLAIN VITAMIN PREPARATIONS
Synthesis plan pending
FORMULA:C23H26N4O2

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@H]1C=CC=C[C@H]1NC21[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@H]4C[C@H]3[C@H]21

BIRTHDAY: 2018-11-19T08:15:46.699513
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C12H9F3N2O2

SMILES: Cn1nc(-c2ccc(OC(F)(F)F)cc2)ccc1=O

BIRTHDAY: 2018-11-19T08:15:46.707255
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis plan pending
FORMULA:C16H19NO2

SMILES: c1cc(CO[C@H]2CN3CCC2CC3)c2ccoc2c1

BIRTHDAY: 2018-11-19T08:15:46.714418
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis plan pending
FORMULA:C21H21F3N2O4

SMILES: COc1ccc(C(=O)c2ccc(C(=O)OC3CCN(C)CC3)nc2C(F)(F)F)cc1

BIRTHDAY: 2018-11-19T08:15:46.724216
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:C27H35N3O2

SMILES: CCO[C@H]1CCCCCCCc2ncnn2-c2ccc(cc2)C[C@@H](c2ccccc2)CO1

BIRTHDAY: 2018-11-19T08:15:46.733690
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis plan pending
FORMULA:C23H27NO3

SMILES: CCOC(=O)c1c[nH]cc([C@@H]2C[C@@H]3CCc4ccccc4C[C@H](C3)C2)c1=O

BIRTHDAY: 2018-11-19T08:15:46.741830
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis plan pending
FORMULA:C21H22N10O2

SMILES: N#C[C@H]1CCN(C(=O)CC2=CC=NN3N=C(c4ccccc4)N[C@@]23OCc2n[nH]c(N)n2)C1

BIRTHDAY: 2018-11-19T08:15:46.762534
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis plan pending
FORMULA:C25H23N5O

SMILES: N#Cc1ccccc1COC1=C2C3CCC(CC3)[C@@]23NC(c2ccccc2)=NN3N=C1

BIRTHDAY: 2018-11-19T08:15:46.772309
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis plan pending
FORMULA:C20H23NO2

SMILES: COc1ccccc1C(=O)c1cnc(C(C)C)c2c1CCCC2

BIRTHDAY: 2018-11-19T08:15:46.779731
ATC: S01J
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- DIAGNOSTIC AGENTS
Synthesis plan pending
FORMULA:C23H31N3O9

SMILES: CCOC(=O)C1=C(C(=O)ON)[C@@H](C(=O)OC)N[C@@H](C(=O)OC)CCNCCc2ccc(cc2)OC1

BIRTHDAY: 2018-11-19T08:15:46.792722
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis plan pending
FORMULA:C29H39N5O5

SMILES: Cc1c(C(=O)O)c2cc(c1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)N[C@]1(CN[C@H]1C)[C@@H](C)[C@@H](C)NCCCN2

BIRTHDAY: 2018-11-19T08:15:46.804700
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C17H18F3N7

SMILES: N[C@H]1N[C@@H]2CN[C@@H]1Cc1c2cncc1[C@@]12N=CC(C(F)(F)F)=CN1C=CN2

BIRTHDAY: 2018-11-19T08:15:46.832553
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis plan pending
FORMULA:C20H23NO2

SMILES: COc1ccc(C(=O)c2cnc3c(c2C(C)C)CCCC3)cc1

BIRTHDAY: 2018-11-19T08:15:46.839823
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis plan pending
FORMULA:C19H25N5O3Si

SMILES: CCOC(=O)c1nc2c([nH]1)C(=O)N[C@@]1(N)C=CC=C[C@@]1(C#CC[Si](C)(C)C)N2

BIRTHDAY: 2018-11-19T08:15:46.850099
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis plan pending
FORMULA:C19H23NO4

SMILES: COC1=CC=C[C@]23OCN[C@@H](C[C@]12OC)[C@H]3c1ccccc1OC

BIRTHDAY: 2018-11-19T08:15:46.865857
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis plan pending
FORMULA:C23H21N5O

SMILES: C1=C[C@H]2CC[C@H]1C1=C(OCc3ccncc3)C=NN3N=C(c4ccccc4)N[C@]123

BIRTHDAY: 2018-11-19T08:15:46.875388
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis plan pending
FORMULA:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(C(F)(F)F)C=CC=C[C@]1(N)NC2=O

BIRTHDAY: 2018-11-30T17:23:59.283684
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H21N5O

SMILES: C1=C[C@H]2CC[C@H]1C1=C(OCc3cccnc3)C=NN3N=C(c4ccccc4)N[C@]123

BIRTHDAY: 2018-11-30T17:23:59.293222
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C25H35N5O6

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC=C([C@H]3C[C@H]4CCC[C@H](COCCCCO3)O4)[C@H]1NC2=O

BIRTHDAY: 2018-11-30T17:23:59.304863
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H21NO2

SMILES: COc1cccc(C(=O)c2ncc3c(c2C(C)C)CC=CC3)c1

BIRTHDAY: 2018-11-30T17:23:59.321915
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C18H21N5O4

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC=C(C#CC(C)(C)O)[C@H]1NC2=O

BIRTHDAY: 2018-11-30T17:23:59.340724
ATC: V09A
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- CENTRAL NERVOUS SYSTEM
Synthesis Plan
FORMULA:C16H16N4O4

SMILES: CCO[C@@]12NC(c3ccccc3)=NN1N=CC1=C2COC(=O)CO1

BIRTHDAY: 2018-11-30T17:23:59.368589
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C20H26N4O3Si

SMILES: CCOC(=O)c1cnc2n1[C@@]1(C#CC[Si](C)(C)C)C=CC=C[C@H]1N[C@H](N)C2=O

BIRTHDAY: 2018-11-30T17:23:59.378455
ATC: D06B
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C23H21N5O

SMILES: C1=C[C@H]2CC[C@H]1C1=NN3N=CN[C@]3(c3ccccc3)C(OCc3ccncc3)=C12

BIRTHDAY: 2018-11-30T17:23:59.388393
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C18H18F3N3O3

SMILES: CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(C(F)(F)F)cc2C1=O

BIRTHDAY: 2018-12-02T16:07:07.324966
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(N)C=CC(C(F)(F)F)=C[C@H]1NC2=O

BIRTHDAY: 2018-12-02T16:07:07.334883
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C17H22N4O4

SMILES: CCOC(=O)c1ncn2c1CN(C)CC1=C(C(=O)OC)CCCN=C12

BIRTHDAY: 2018-12-02T16:07:07.344034
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C21H24N2O5

SMILES: COC(=O)c1cncc(O[C@@]2(C)CCCCN2)c1C(=O)c1ccccc1OC

BIRTHDAY: 2018-12-02T16:07:07.353463
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C16H14N4O3

SMILES: CCOC(=O)c1ncn2c1CN(C)c1c(C#N)cccc1C2=O

BIRTHDAY: 2018-12-02T16:07:07.362248
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C20H19NO5

SMILES: COC(=O)c1c(C(=O)c2ccc(OC)cc2)cnc2c1C(=O)C[C@H](C)C2

BIRTHDAY: 2018-12-02T16:07:07.380361
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C21H24N2O5

SMILES: COC(=O)c1cncc(O[C@]2(C)CCCCN2)c1C(=O)c1ccccc1OC

BIRTHDAY: 2018-12-02T16:07:07.399203
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C19H25N5O3Si

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC(C#CC[Si](C)(C)C)=C[C@@H]1NC2=O

BIRTHDAY: 2018-12-02T16:07:07.408742
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C18H21N5O4

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC(C#CC(C)(C)O)=C[C@@H]1NC2=O

BIRTHDAY: 2018-12-02T16:07:07.427586
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H18Cl2N4

SMILES: N#Cc1ccc(-c2c(-c3ccc(Cl)c(Cl)c3)ncn2C2CCNCC2)cc1

BIRTHDAY: 2018-12-02T16:07:07.445820
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C13H16N4O3

SMILES: CCOC1=C2C[C@@H](C(=O)OC)C=CC2=NN2NN=C[C@H]12

BIRTHDAY: 2018-12-03T10:43:29.295425
ATC: A07E
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C19H25N5O3Si

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(N)C=CC(C#CC[Si](C)(C)C)=C[C@H]1NC2=O

BIRTHDAY: 2018-12-03T10:43:29.304991
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H22N2O6

SMILES: CCOC(=O)C1=C(C#N)C(C(=O)OCC)(C(=O)OCC)C=C(c2ccccc2)N1

BIRTHDAY: 2018-12-03T10:43:29.315450
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C23H21NO7S

SMILES: COC(=O)c1cc(C(=O)c2ccc(OC)c(C(=O)C(C)=O)c2)cnc1O[C@@H]1C=CSCC1

BIRTHDAY: 2018-12-03T10:43:29.335253
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C22H21N5O2

SMILES: COc1cccc(-c2nnc3n2NC[C@@H]2C=CC=C[C@@]32OCc2ccncc2)c1

BIRTHDAY: 2018-12-03T10:43:29.361413
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C19H11F3N2O2

SMILES: Nc1cncc(C(=O)c2cccc(F)c2)c1C(=O)c1cc(F)cc(F)c1

BIRTHDAY: 2018-12-03T10:43:29.380450
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C26H31N5O5

SMILES: N[C@]12NCC(=O)c3nc(C(=O)OCc4ccccc4)cn3[C@]13C=NC=C2CCCCCOCCCO3

BIRTHDAY: 2018-12-03T10:43:29.391856
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C25H28N4O3

SMILES: CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C#C[C@@]3(C)C[C@@H]4CN[C@@H](C4)C3)ccc1-2

BIRTHDAY: 2018-12-03T19:11:54.047209
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C23H25N3O3

SMILES: COC1=C2c3ccc(OC)cc3CN2N=CN=C1c1ccc(OCC(C)C)cc1

BIRTHDAY: 2018-12-03T19:11:54.112659
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C22H23N3O3S

SMILES: CC1(C)COc2cccc(c2)Sc2cc(ncn2)-c2cccc(c2)CNC1(O)O

BIRTHDAY: 2018-12-03T19:11:54.122596
ATC: H02C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- ANTIADRENAL PREPARATIONS
Synthesis Plan
FORMULA:C21H24N2O5

SMILES: COC(=O)c1ccc(OC2(C)CCNCC2)nc1C(=O)c1ccccc1OC

BIRTHDAY: 2018-12-03T19:11:54.140081
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C37H26FN3O4S

SMILES: O=C(c1ccccc1F)c1ccncc1C(=O)c1cccc2cc3cc(c12)-c1cc(ncn1)Sc1cccc(c1)OCCCCO3

BIRTHDAY: 2018-12-03T19:11:54.175160
ATC: A01A
- ALIMENTARY TRACT AND METABOLISM
- STOMATOLOGICAL PREPARATIONS
- STOMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C20H19NO5

SMILES: COC(=O)c1ncc2c(c1C(=O)c1ccc(OC)cc1)C[C@@H](C)CC2=O

BIRTHDAY: 2018-12-01T22:31:00.092582
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(C(F)(F)F)C=CC=C[C@@]1(N)NC2=O

BIRTHDAY: 2018-12-01T22:31:00.102860
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(C(F)(F)F)C=CC=C[C@@]1(N)NC2=O

BIRTHDAY: 2018-12-01T22:31:00.113119
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H24N2O5

SMILES: COC(=O)c1cc(O[C@@]2(C)CCCNC2)nc(C(=O)c2ccccc2OC)c1

BIRTHDAY: 2018-12-01T22:31:00.150113
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C16H18N4O3

SMILES: N#CC1(C(=O)c2ccc(OCCCN3CCOCC3)cc2)N=N1

BIRTHDAY: 2018-12-01T22:31:00.178195
ATC: N01B
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, LOCAL
Synthesis Plan