matter.farm

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

These compounds may interact with:

Metabotropic glutamate receptor 2

Potentially involved in: carcinoma; schizophrenia; cocaine dependence; epilepsy; major depressive disorder; parkinson's disease; toxic encephalopathy; alcoholic intoxication, chronic; epilepsy, temporal lobe; psychoses, substance-induced; amphetamine-related disorders; mood disorders; addicted to cocaine; astrocytoma, pilocytic; atypical teratoid / rhabdoid tumor; ependymoma; glioblastoma; pediatric high grade glioma; primitive neuroectodermal tumor

Disease data sourced from Pharos.

Modulator

FORMULA:C14H23N3O6

SMILES: CC(C)C[C@@H](N)C(=O)N[C@H](C(=O)O)C(=O)N1CC[C@H](C(=O)O)C1

BIRTHDAY: 2018-12-01T14:10:34.032500
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H41NO4

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

BIRTHDAY: 2018-12-01T14:10:34.040177
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H27F3N2O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NC1(C(=O)O)CCCCC1

BIRTHDAY: 2018-12-01T14:10:34.050065
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C17H22N6O4S

SMILES: CC(C)C[C@H]1Cn2cc(nn2)-c2csc(n2)C(=O)NCCC(=O)OCC(=O)N1

BIRTHDAY: 2018-12-01T14:10:34.060551
ATC: V09X
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- OTHER DIAGNOSTIC RADIOPHARMACEUTICALS
Synthesis Plan
FORMULA:C22H23NO7

SMILES: COc1c(C(=O)O)cccc1-c1ccccc1[C@@H](C)[C@@](N)(C(=O)O)C1(C(=O)O)CC1

BIRTHDAY: 2018-12-01T14:10:34.070831
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H13F6NO

SMILES: FC(F)(F)c1ccc(O[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1

BIRTHDAY: 2018-12-01T14:10:34.080106
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H27F3N2O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NC1(C(=O)O)CCCCC1

BIRTHDAY: 2018-12-01T14:10:34.089991
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C17H25NO4S

SMILES: CC(C)(C)[C@H](NCC(=O)O)C(=O)[C@@]1(C)CO[C@H]2C=CC=C[C@H]2S1

BIRTHDAY: 2018-12-01T14:10:34.098271
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H13F6NO

SMILES: FC(F)(F)c1cccc([C@@H](Oc2ccccc2C(F)(F)F)c2ccccn2)c1

BIRTHDAY: 2018-12-01T14:10:34.107799
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H12F9NO

SMILES: FC(F)(F)c1ccc(O[C@@H](c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)nc2)cc1

BIRTHDAY: 2018-12-25T02:02:36.623917
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C20H13F6NO

SMILES: FC(F)(F)c1ccc(O[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1

BIRTHDAY: 2018-12-25T02:02:36.633130
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C26H32F2O6

SMILES: C[C@@H]1CCCCCCCC[C@]2(C=C[C@H](C(=O)O)C2)C[C@@]1(C(=O)O)C(=O)Oc1cccc(F)c1F

BIRTHDAY: 2018-12-25T02:02:36.644467
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C22H27F2N3O

SMILES: CC(C)C[C@H](C(F)F)N1CC(=O)c2cn(cn2)CC=CCc2cccc(c2)C1

BIRTHDAY: 2018-12-25T02:02:36.653494
ATC: B02A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- ANTIFIBRINOLYTICS
Synthesis Plan
FORMULA:C25H42FNO2

SMILES: CCCCCCCCCCCCCCCC[C@H](NCc1ccc(F)cc1)C(=O)O

BIRTHDAY: 2018-12-25T02:02:36.661059
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:C22H24F3N7O

SMILES: CC(C)C[C@H](Nc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1-c1nc(N)nc(N)n1

BIRTHDAY: 2018-12-25T02:02:36.672305
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C20H13F6NO

SMILES: FC(F)(F)c1ccccc1O[C@H](c1ccccn1)c1ccccc1C(F)(F)F

BIRTHDAY: 2018-12-25T02:02:36.682362
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C22H28F3NO7S

SMILES: CC(C)C[C@@H](NCC(=O)O)C(=O)[C@H]1Oc2ccc(OCCCCC(=O)O)cc2S[C@@H]1C(F)(F)F

BIRTHDAY: 2018-12-25T02:02:36.693739
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C26H44FNO2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C[C@@H](NCc1cccc(F)c1)C(=O)O

BIRTHDAY: 2018-12-25T02:02:36.701493
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H14ClF3O4S

SMILES: O=S1(=O)OCCC=C1O[C@H](c1cccc(Cl)c1)c1ccccc1C(F)(F)F

BIRTHDAY: 2018-12-03T02:38:40.529149
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C9H14F3NO3

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

BIRTHDAY: 2018-12-03T02:38:40.536751
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C9H14F3NO3

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

BIRTHDAY: 2018-12-03T02:38:40.544197
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C15H16Cl2N2O3

SMILES: CN1C[C@H]2[C@H](C1=O)[C@@H](c1ccc(Cl)c(Cl)c1)C[C@]2(N)C(=O)O

BIRTHDAY: 2018-12-03T02:38:40.552936
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C19H21NO4

SMILES: CC[C@H](C(=O)O)n1c(-c2cccc(OC3(C)CC3)c2)cccc1=O

BIRTHDAY: 2018-12-03T02:38:40.571936
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C20H29N5O4

SMILES: CN(C)C(C)(C)N1C(=O)C=N[C@]2(C(=O)N[C@@H]3CCC[C@]3(N)C(=O)O)C=CC=C[C@H]12

BIRTHDAY: 2018-12-03T02:38:40.581800
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C14H12F7NO

SMILES: F[C@@H]1C[C@H]2CN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@H]1O2

BIRTHDAY: 2018-12-03T02:38:40.591141
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C6H11NOS2

SMILES: CC(C)[C@]1(C)[SH]=NSC1=O

BIRTHDAY: 2018-11-30T03:40:36.854739
ATC: C05B
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- ANTIVARICOSE THERAPY
Synthesis Plan
FORMULA:C20H20N2O4

SMILES: CC[C@@H](C(=O)O)n1ccc(-c2ccc(C#N)c(OCC3CC3)c2)cc1=O

BIRTHDAY: 2018-11-30T03:40:36.863512
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C21H23NO5

SMILES: COc1ccc(C(=O)O)cc1-c1ccc(CC[C@](N)(C(=O)O)C2CC2)cc1

BIRTHDAY: 2018-11-30T03:40:36.872106
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C10H7F6N3S

SMILES: FC(F)(F)c1cccc([C@@]2(C(F)(F)F)CSNN=N2)c1

BIRTHDAY: 2018-11-30T03:40:36.881718
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C16H21F3N2O3

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

BIRTHDAY: 2018-11-30T03:40:36.890530
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C17H8F12O

SMILES: OC(c1ccc(-c2cccc(C(F)(F)F)c2)cc1C(F)(F)F)(C(F)(F)F)C(F)(F)F

BIRTHDAY: 2018-11-30T03:40:36.902324
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C14H21FN2O3S

SMILES: CC(C)[C@@H](N)[C@@]1(O)CCCN(c2cccc(F)c2)S1(=O)=O

BIRTHDAY: 2018-11-19T08:17:35.442984
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C14H12F2N4O2

SMILES: N[C@@]1(C(=O)O)CCc2ncnc(Nc3ccc(F)cc3F)c21

BIRTHDAY: 2018-11-19T08:17:35.452099
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C13H21F2N3O4

SMILES: CC(C)C[C@H](N)C(=O)N[C@H](C(=O)O)C(=O)N1CCC(F)(F)C1

BIRTHDAY: 2018-11-19T08:17:35.480964
ATC: L02A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONES AND RELATED AGENTS
Synthesis Plan
FORMULA:C16H21F3N2O3

SMILES: CC(C)C[C@@H](N)C(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)O

BIRTHDAY: 2018-11-19T08:17:35.489771
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:C18H26N2

SMILES: C[C@H]1CCCCc2cccc(c2)CCCNC[C@@H]1C#N

BIRTHDAY: 2018-11-19T08:17:35.496527
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C19H23F3N2O4

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](C(=O)O)C1

BIRTHDAY: 2018-11-19T08:17:35.506577
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H44FNO2

SMILES: CCCCCCCCCCCCCCCCC[C@@H](NCc1ccc(F)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:17:35.514362
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:C17H8F12O

SMILES: OC(c1cccc(C(F)(F)F)c1-c1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F

BIRTHDAY: 2018-11-19T08:17:35.534270
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C9H16N2O5

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

BIRTHDAY: 2018-11-19T08:17:35.541768
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:C18H22F3N3O

SMILES: CC(C)C[C@H](Nc1ccccc1C(F)(F)F)C(=O)N1CC[C@H](C#N)C1

BIRTHDAY: 2018-11-19T08:17:35.550894
ATC: P03A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis Plan
FORMULA:C20H12F6N2O

SMILES: O=C(Nc1cccc(-c2ccncc2)c1)c1cccc(C(F)(F)F)c1C(F)(F)F

BIRTHDAY: 2018-11-19T08:17:35.561666
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C15H14F3N3O3

SMILES: N[C@@]1(C(=O)O)CC[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)C1

BIRTHDAY: 2018-11-19T08:17:35.570810
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H19BrN2O3

SMILES: C[C@H](NC(=O)c1cccc(Nc2cccc(C(=O)O)c2)c1Br)c1ccccc1

BIRTHDAY: 2018-11-19T08:17:35.579710
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C16H14N2O2

SMILES: C1=CON=C(Nc2ccc(Oc3ccccc3)cc2)C1

BIRTHDAY: 2018-11-19T08:17:35.586932
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C18H23F2N3O

SMILES: CC(C)(C)C(C)(C)Cc1cnn(-c2cc(F)ccc2F)c1C(N)=O

BIRTHDAY: 2018-11-19T08:17:35.595366
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C21H12F9NO

SMILES: FC(F)(F)c1ccccc1O[C@@H](c1ccccc1C(F)(F)F)c1cnccc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:17:35.607835
ATC: P01A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Synthesis Plan
FORMULA:C9H16N2O5

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

BIRTHDAY: 2018-11-19T08:17:35.615261
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:C28H22F6N4O2

SMILES: O[C@](c1cccc(C(F)(F)F)c1)(c1cnc2nc1NCc1cccc(c1)OCCc1cccc(c1)N2)C(F)(F)F

BIRTHDAY: 2018-11-19T08:17:35.629444
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H14F6O3

SMILES: COc1cccc(C(=O)O)c1-c1cc(C(F)(F)F)ccc1[C@@H](C)C(F)(F)F

BIRTHDAY: 2018-11-19T08:17:35.639551
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H24N2O4

SMILES: COc1ccc(C2(C(=O)N[C@H](C)c3ccccc3)CC2)c(-c2ccncc2C(=O)O)c1

BIRTHDAY: 2018-11-19T08:17:35.649223
ATC: M03B
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
Synthesis Plan
FORMULA:C27H26N6O3

SMILES: N[C@H](C(=O)O)c1c2cncc1-c1ccnc(n1)Nc1cccc(c1)CNCC=C1C=CC=C[C@H]1OC2

BIRTHDAY: 2018-11-19T08:17:35.661030
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C16H28N2O4

SMILES: CC(C)C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](C(=O)O)C1

BIRTHDAY: 2018-11-19T08:17:35.669337
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C21H17F2NO2

SMILES: COc1ccccc1[C@H](C(=O)Nc1cccc(F)c1)c1ccccc1F

BIRTHDAY: 2018-11-19T08:17:35.678025
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C23H34N4O5S

SMILES: CC(C)C[C@@H](NCC(=O)O)C(=O)[C@@]1(C)CO[C@H]2C(OC(C)(C)Cc3cnn[nH]3)=CC=C[C@H]2S1

BIRTHDAY: 2018-11-19T08:17:35.688819
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C16H21F3N2O3

SMILES: CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O

BIRTHDAY: 2018-11-19T08:17:35.697565
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:C25H42FNO2

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C[C@H](NCc1cccc(F)c1)C(=O)O

BIRTHDAY: 2018-11-19T08:17:35.705392
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C12H13Cl2NO2

SMILES: N[C@@]1(C(=O)O)CCC[C@@H]1c1c(Cl)cccc1Cl

BIRTHDAY: 2018-11-19T08:17:35.712716
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C22H14F7NO2

SMILES: COc1ccc([C@H](C(=O)Nc2c(F)cccc2F)c2ccc(F)c(F)c2)cc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:17:35.723524
ATC: R02A
- RESPIRATORY SYSTEM
- THROAT PREPARATIONS
- THROAT PREPARATIONS
Synthesis Plan
FORMULA:C15H19FN2O3

SMILES: N[C@]1(C(=O)O)CC[C@]2(c3cccc(F)c3)COCCN[C@H]12

BIRTHDAY: 2018-11-19T08:17:35.731934
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H34N4O5

SMILES: CC(C)(C)CN1C(=O)C[C@](C)(c2cc(O)cc(C(=O)N3C[C@H]4CN[C@H]3C4(C)C)c2O)NC1=O

BIRTHDAY: 2018-11-19T08:17:35.742793
ATC: A03B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- BELLADONNA AND DERIVATIVES, PLAIN
Synthesis Plan
FORMULA:C22H33N3O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N1CC[C@@H](C(N)=O)C1

BIRTHDAY: 2018-11-19T08:17:35.752007
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C20H13F6NO

SMILES: FC(F)(F)c1ccc([C@H](Oc2cccc(C(F)(F)F)c2)c2ccncc2)cc1

BIRTHDAY: 2018-11-19T08:17:35.761604
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C26H44FNO2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C[C@H](NCc1cccc(F)c1)C(=O)O

BIRTHDAY: 2018-11-19T08:17:35.777437
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H12F6N2O

SMILES: O=C(Nc1cccc(-c2ccncc2)c1)c1c(C(F)(F)F)cccc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:17:35.797518
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H30N4O2

SMILES: CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C(=O)Nc1[cH-]c(-c2ccccc2)c[nH+]1)C(C)C

BIRTHDAY: 2018-11-19T08:17:35.806430
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C17H8F12O

SMILES: OC(c1ccc(-c2ccccc2C(F)(F)F)c(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F

BIRTHDAY: 2018-11-19T08:17:35.818614
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C12H15Cl2N3

SMILES: N[C@@H]1[C@@H]2CNC[C@H]1N(c1ccc(Cl)c(Cl)c1)C2

BIRTHDAY: 2018-11-30T17:22:58.605215
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C5H7N3O3

SMILES: Cc1nc(=O)[nH]n1CC(=O)O

BIRTHDAY: 2018-11-30T17:22:58.611919
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H13F6NO

SMILES: FC(F)(F)c1ccccc1O[C@@H](c1ccccn1)c1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-30T17:22:58.622081
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C14H14F3NO4

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

BIRTHDAY: 2018-11-30T17:22:58.630704
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C25H42FNO2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@H](NCc1cccc(F)c1)C(=O)O

BIRTHDAY: 2018-11-30T17:22:58.638494
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C21H27F3N2O4

SMILES: CC(C)C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC1(C(=O)O)CCCCC1

BIRTHDAY: 2018-11-30T17:22:58.648589
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C21H12F9NO

SMILES: FC(F)(F)c1ccc(O[C@H](c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)nc2)cc1

BIRTHDAY: 2018-11-30T17:22:58.659322
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C22H23NO7

SMILES: COc1ccc(C(=O)O)cc1-c1ccc(CC[C@@](N)(C(=O)O)[C@@H]2C[C@@H]2C(=O)O)cc1

BIRTHDAY: 2018-11-30T17:22:58.668810
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C26H29NO5

SMILES: COc1ccc([C@@H](C(=O)NCCc2ccccc2)c2cc(OC)c(OC)c(OC)c2)cc1

BIRTHDAY: 2018-11-30T17:22:58.686704
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C12H13F2NO2

SMILES: N[C@H](Cc1cccc(F)c1F)C1(C(=O)O)CC1

BIRTHDAY: 2018-11-30T17:22:58.693818
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C8H7F3N2O2

SMILES: NNc1cccc(C(=O)O)c1C(F)(F)F

BIRTHDAY: 2018-11-30T17:22:58.701208
ATC: C02D
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis Plan
FORMULA:C14H26N2O

SMILES: CC(C)(C)C[C@H](N)C(=O)N1CC2CCC1CC2

BIRTHDAY: 2018-11-30T17:22:58.707555
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C16H29N3O4

SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(=O)N1CC[C@@H](C(=O)O)C1)C(C)C

BIRTHDAY: 2018-12-02T16:06:06.974235
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C10H6Cl2F3NS

SMILES: FC(F)(F)[C@]1(c2cc(Cl)cc(Cl)c2)C=CNS1

BIRTHDAY: 2018-12-02T16:06:06.982465
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C13H24N2O

SMILES: CC(C)C[C@H](N)C(=O)N1CC2CCC1CC2

BIRTHDAY: 2018-12-02T16:06:06.988772
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C17H8F9NO3

SMILES: O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(=O)O)c(C(F)(F)F)c1

BIRTHDAY: 2018-12-02T16:06:06.999704
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C21H12F9NO

SMILES: FC(F)(F)c1ccc(O[C@H](c2ccccc2C(F)(F)F)c2ccncc2C(F)(F)F)cc1

BIRTHDAY: 2018-12-02T16:06:07.012580
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C18H15F3N4O4S

SMILES: N#Cc1nn(CC(=O)N2CCOCC2)c2c1-c1cc(C(F)(F)F)ccc1CS2(=O)=O

BIRTHDAY: 2018-12-02T16:06:07.023417
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C27H45NO5

SMILES: CCCCCCCCCCCCCC[C@H]1C(=O)O[C@H](C(C)=O)O[C@@]23CC[C@H]4O[C@H](CN2)[C@@H]3[C@H]41

BIRTHDAY: 2018-12-03T10:42:28.837413
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C25H22N2O3

SMILES: COc1cc(C(=O)O)cc(-c2ccccc2[C@H](C)c2cn(-c3ccccc3)cn2)c1

BIRTHDAY: 2018-12-03T10:42:28.846593
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C14H10F5NS

SMILES: Fc1ccc(C2=C(C(F)(F)F)[C@@H]3C[C@@H](N=C[C@H]3F)S2)cc1

BIRTHDAY: 2018-12-03T10:42:28.855043
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C22H26N2O4

SMILES: COc1ccc([C@]2(C(=O)NCCc3ccccc3)C[C@H]2CNCC(=O)O)cc1

BIRTHDAY: 2018-12-03T10:42:28.863867
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C26H32N4O4

SMILES: COc1cccc(C(=O)O)c1-c1ccccc1[C@H](C)[C@H](N)C1(N2CCOCC2)C=NCCN=C1

BIRTHDAY: 2018-12-03T10:42:28.903222
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C12H13Cl2NO2

SMILES: N[C@@]1(C(=O)O)CCC[C@H]1c1c(Cl)cccc1Cl

BIRTHDAY: 2018-12-03T19:10:54.330656
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C26H34N4O6

SMILES: COc1c(C(=O)O)cccc1-c1ccccc1[C@@H](C)[C@@]1(O)NCCNC(=O)C(=O)NCCNC1(C)C

BIRTHDAY: 2018-12-03T19:10:54.341880
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C21H23NO5

SMILES: COc1cccc(-c2cccc(CC[C@@](N)(C(=O)O)C3CC3)c2)c1C(=O)O

BIRTHDAY: 2018-12-03T19:10:54.350454
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C13H14N6O3S

SMILES: O=C(O)CSc1nc(NCc2ccccc2)cc(N/N=[NH+]\[O-])n1

BIRTHDAY: 2018-12-03T19:10:54.359940
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C26H29NO5

SMILES: COc1ccccc1[C@@H](C(=O)N[C@@H](C)c1ccccc1)c1c(OC)ccc(OC)c1OC

BIRTHDAY: 2018-12-03T19:10:54.369938
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C16H21F3N2O3

SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O

BIRTHDAY: 2018-12-03T19:10:54.378734
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:C9H13N3O3

SMILES: N#C[C@H]1OC[C@@H]2C[C@](O)(C(N)=O)C[C@@H]1N2

BIRTHDAY: 2018-12-03T19:10:54.386157
ATC: G03H
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANTIANDROGENS
Synthesis Plan
FORMULA:C21H27F3N2O4

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC1(C(=O)O)CCCCC1

BIRTHDAY: 2018-12-03T19:10:54.396330
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C16H21F3N2O3

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

BIRTHDAY: 2018-12-01T22:29:59.132638
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C24H33N5O3S

SMILES: CC(C)C[C@@H](NC[C@@H]1CNCCCSc2cc(ncn2)-c2cccc(c2)CNC1=O)C(=O)O

BIRTHDAY: 2018-12-01T22:29:59.143096
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C21H27F3N2O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)NC1(C(=O)O)CCCCC1

BIRTHDAY: 2018-12-01T22:29:59.153306
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C18H14F6O3

SMILES: COc1ccc(-c2ccc(CCC(F)(F)F)cc2C(F)(F)F)cc1C(=O)O

BIRTHDAY: 2018-12-01T22:29:59.162600
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C17H8F9NO3

SMILES: O=C(O)c1cccc(C(F)(F)F)c1C(=O)Nc1cccc(C(F)(F)F)c1C(F)(F)F

BIRTHDAY: 2018-12-01T22:29:59.174404
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C25H42FNO2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@@H](NCc1cccc(F)c1)C(=O)O

BIRTHDAY: 2018-12-01T22:29:59.182277
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C12H13Cl2NO2

SMILES: N[C@]1(C(=O)O)CCC[C@H]1c1c(Cl)cccc1Cl

BIRTHDAY: 2018-12-01T22:29:59.189606
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C22H15F3N2O2

SMILES: COc1ccc([C@H](C(=O)Nc2ccc(F)cc2F)c2ccc(F)cc2)cc1C#N

BIRTHDAY: 2018-12-01T22:29:59.208315
ATC: N01B
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, LOCAL
Synthesis Plan