matter.farm

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

These compounds may interact with:

Fructose-1,6-bisphosphatase 1

Potentially involved in: fructose-1,6-bisphosphatase deficiency; lactic acidosis; apnea; colonic neoplasms; comatose; dyspnea; epilepsy; fever; fructose-1,6-diphosphatase deficiency; hepatomegaly; hyperventilation; hypoglycemia; ketosis; lethargy; muscle hypotonia; parkinson disease; schizophrenia; seizures; stomach neoplasms; tachycardia

Disease data sourced from Pharos.

Inhibitory Allosteric Modulator

FORMULA:C22H20ClN3O4

SMILES: Nc1c(C(=O)NO)cc(-c2ccc(Cl)cc2)cc1-c1ccc(CNCC(=O)O)cc1

BIRTHDAY: 2018-12-01T14:11:11.476232
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H19Cl2N5O2

SMILES: NC(=O)c1ccc2[nH]cnc2c1-c1ccccc1C(N)(N)[C@H](O)c1ccc(Cl)cc1Cl

BIRTHDAY: 2018-12-01T14:11:11.486839
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C22H21ClN2O4

SMILES: COc1cccc(-c2ccccc2C(N)(N)[C@@H](O)c2ccccc2Cl)c1C(=O)O

BIRTHDAY: 2018-12-01T14:11:11.496324
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H25NO3

SMILES: COc1ccc(-c2ccc(CNC[C@H](O)COc3ccccc3)cc2)cc1

BIRTHDAY: 2018-12-01T14:11:11.504134
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C25H26N2O4

SMILES: Cc1cccc(C)c1N1C(C(=O)O)=NO[C@H]1c1cocc1-c1ccccc1CC(C)C

BIRTHDAY: 2018-12-01T14:11:11.514502
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C23H22ClNO4

SMILES: COc1ccc(-c2ccc(CNC[C@H](O)c3cccc(Cl)c3)cc2)cc1C(=O)O

BIRTHDAY: 2018-12-01T14:11:11.523243
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C18H25O4P

SMILES: CC(C)Cc1cccc(-c2cocc2P(=O)(O)O)c1C(C)(C)C

BIRTHDAY: 2018-12-01T14:11:11.530929
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C14H17O4P

SMILES: CC(C)Cc1ccccc1-c1cocc1P(=O)(O)O

BIRTHDAY: 2018-12-01T14:11:11.538467
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C14H17O4P

SMILES: CC(C)Cc1ccc(-c2ccc(P(=O)(O)O)o2)cc1

BIRTHDAY: 2018-12-01T14:11:11.545461
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C23H32N4O4

SMILES: Cc1cccc(-c2nn(CC(=O)NC(C)C)cc2C(C)(C)C)c1C(=O)N[C@@H](C)C(=O)O

BIRTHDAY: 2018-12-01T14:11:11.562313
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C17H32O2

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

BIRTHDAY: 2018-12-01T14:11:11.569115
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H32O3

SMILES: CC(C)Cc1cc(C(C)(C)C)ccc1-c1cc(C(=O)O)oc1C(C)(C)C

BIRTHDAY: 2018-12-01T14:11:11.584239
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C17H12FNO3

SMILES: Nc1ccccc1-c1c(-c2ccccc2F)coc1C(=O)O

BIRTHDAY: 2018-12-01T14:11:11.592808
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C18H30N6O3

SMILES: C[C@@]1(C[NH+]2C3CCCC2CCC3)N[N-][CH+][C@H](C/N=[NH+]\C[C-](N)C(=O)[O-])C1=O

BIRTHDAY: 2018-12-01T14:11:11.603755
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C23H25N5O5

SMILES: O=C(O)c1ccc(-c2nncn2-c2ccc3[nH]cc(C[C@@H](CO)NC[C@@H](O)CO)c3c2)cc1

BIRTHDAY: 2018-12-01T14:11:11.624018
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C23H21F3N2O3

SMILES: Nc1c(-c2ccccc2C(=O)N[C@@H](CO)c2ccccc2)cccc1[C@@H](O)C(F)(F)F

BIRTHDAY: 2018-12-01T14:11:11.634080
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C24H25FO3

SMILES: CC(C)C[C@H](C)Cc1ccccc1-c1c(-c2cccc(F)c2)coc1C(=O)O

BIRTHDAY: 2018-12-25T02:03:15.434841
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C14H17O4P

SMILES: CC(C)Cc1cccc(-c2cocc2P(=O)(O)O)c1

BIRTHDAY: 2018-12-25T02:03:15.442325
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C21H17F3N4O2S

SMILES: CSc1ccc(-c2nc3c(NCc4ccc(C(F)(F)F)cc4)ccc(C(N)=O)c3[nH]2)o1

BIRTHDAY: 2018-12-25T02:03:15.459996
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C33H34N8O3

SMILES: COc1ccccc1-c1cccc(-c2nc([C@]3(N)[C@H]4CCN3CCN3Cc5cccc(c5N3)C3=NC(=CO4)CNC3)no2)c1

BIRTHDAY: 2018-12-25T02:03:15.473735
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C20H22N4O5

SMILES: NC(=O)c1ccccc1NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

BIRTHDAY: 2018-12-25T02:03:15.490609
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C21H25O5P

SMILES: CC(C)Cc1ccc(-c2occ(C(C)C)c2-c2occc2P(=O)(O)O)cc1

BIRTHDAY: 2018-12-25T02:03:15.499433
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H26N2O4

SMILES: Cc1cccc(C)c1N1C=NO[C@@]1(C(=O)O)c1cocc1-c1ccccc1CC(C)C

BIRTHDAY: 2018-12-25T02:03:15.510046
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H22F2O4

SMILES: C=C(C(=O)O)c1coc(-c2cccc(F)c2F)c1-c1cccc(OC)c1C(C)(C)C

BIRTHDAY: 2018-12-25T02:03:15.520590
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C30H36N2O4

SMILES: CC(C)Cc1ccccc1-c1cocc1[C@@]1(C(C)C)ON=C(C(C)C)N1Cc1cccc(C(=O)O)c1

BIRTHDAY: 2018-12-25T02:03:15.532107
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H29ClN2O6S

SMILES: Cc1cc(C(=O)O)ccc1C(=O)NCc1cccc(OCCCCCNS(=O)(=O)c2ccc(Cl)cc2)c1

BIRTHDAY: 2018-12-25T02:03:15.543257
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C13H24N2O5S2

SMILES: CC(C)(C)C(=O)N[C@H](C(=O)N[C@@H]1COC(O)(O)C1)C(C)(S)S

BIRTHDAY: 2018-12-25T02:03:15.559134
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C3H7NO4S

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

BIRTHDAY: 2018-12-25T02:03:15.572528
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C22H30ClN3O4

SMILES: CC(C)C[C@H](C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O)[C@@H]1[C@@H]2C[C@H](N(C)C2=O)N1C

BIRTHDAY: 2018-12-25T02:03:15.582162
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H17F3N2O3

SMILES: O=C(O)c1cccc(NC(=O)c2ccc(-c3cccc(NCC(F)(F)F)c3)cc2)c1

BIRTHDAY: 2018-12-25T02:03:15.591632
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:C23H22ClNO4

SMILES: COc1cc(-c2ccc(CNC[C@@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O

BIRTHDAY: 2018-12-03T02:39:19.053531
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C19H18ClN5O2S

SMILES: NC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1

BIRTHDAY: 2018-12-03T02:39:19.063410
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C19H18ClN5O2S

SMILES: NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(c2ccccc2Cl)C=NN=CS1

BIRTHDAY: 2018-12-03T02:39:19.073762
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C23H22ClNO4

SMILES: COc1ccc(C(=O)O)c(-c2ccc(CNC[C@@H](O)c3ccccc3Cl)cc2)c1

BIRTHDAY: 2018-12-03T02:39:19.082641
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C29H39N7O2

SMILES: CC(C)c1nn([C@@H]2CCC=CCC[C@H](C)CCN2)cc1NC(=O)Nc1ccc(-c2noc(C3CC3)n2)cc1

BIRTHDAY: 2018-12-03T02:39:19.094044
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H13F3N4O5S

SMILES: NC(=O)c1ccc(-c2cc(C(F)(F)F)c3nc(-c4ccc(S(=O)(=O)O)o4)[nH]c3c2)cc1N

BIRTHDAY: 2018-12-03T02:39:19.105451
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C17H13Cl2N2O5P

SMILES: Nc1ccc(-c2ccoc2P(=O)(O)O)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1

BIRTHDAY: 2018-12-03T02:39:19.115272
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H21FO4

SMILES: CC(C)Cc1ccc(-c2oc(-c3ccco3)c(C(=O)O)c2-c2ccc(F)cc2)cc1

BIRTHDAY: 2018-12-03T02:39:19.124217
ATC: C04A
- CARDIOVASCULAR SYSTEM
- PERIPHERAL VASODILATORS
- PERIPHERAL VASODILATORS
Synthesis Plan
FORMULA:C17H13Cl3N3O5P

SMILES: NC(=O)c1ccc(-c2cocc2P(=O)(O)O)c(Nc2ccc(Cl)c(Cl)c2Cl)c1N

BIRTHDAY: 2018-12-03T02:39:19.135698
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C19H19ClN4O3S2

SMILES: CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(c2cccc(Cl)c2)C=NN=CS1

BIRTHDAY: 2018-12-03T02:39:19.146978
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C18H21N2O5P

SMILES: COc1ccccc1-c1nn(CC(C)C)cc1-c1cocc1P(=O)(O)O

BIRTHDAY: 2018-12-03T02:39:19.157158
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C50H51N5O2

SMILES: CC(C)Cc1ccccc1-c1coc2c1CC(=O)[C@H](N1c3cccc(c3)CNCC=CCCn3ccc4ccc(cc43)-c3ccnc1n3)C=CCCC=CC=CC2

BIRTHDAY: 2018-12-03T02:39:19.184004
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H24Cl2N4O2S

SMILES: CC(C)c1cnn(C(C)C)c1-c1ccc(Nc2ccc(Cl)cc2Cl)c(S(N)(=O)=O)c1

BIRTHDAY: 2018-12-03T02:39:19.201586
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C22H21ClN2O4

SMILES: COc1cccc(-c2ccccc2C(N)(N)[C@H](O)c2ccccc2Cl)c1C(=O)O

BIRTHDAY: 2018-12-03T02:39:19.211032
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H17F4NO

SMILES: Nc1cccc(-c2ccc([C@H](c3ccc(F)cc3)[C@@H](O)C(F)(F)F)cc2)c1

BIRTHDAY: 2018-12-03T02:39:19.219810
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C22H18Cl2N4

SMILES: Nc1ccccc1-c1cc(-c2ccccc2N)n(Cc2cc(Cl)cc(Cl)c2)n1

BIRTHDAY: 2018-12-03T02:39:19.229139
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C28H30N4O2

SMILES: Nc1ccccc1-c1c(C(=O)O)cccc1[C@]12[C@@H]3CCC[C@]14[C@@H]1C[C@]5(C[C@@H]2N1C3)NC=CN[C@@H]54

BIRTHDAY: 2018-11-30T03:41:16.114082
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis plan pending
FORMULA:C19H18O4

SMILES: CC(C)Cc1ccc(-c2cc(C(=O)O)c(-c3ccco3)o2)cc1

BIRTHDAY: 2018-11-30T03:41:16.132006
ATC: C05A
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
Synthesis plan pending
FORMULA:C17H16F3N2O5P

SMILES: COc1ccccc1-c1cn(CCC(F)(F)F)nc1-c1cc(P(=O)(O)O)co1

BIRTHDAY: 2018-11-30T03:41:16.142624
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:C21H17F3N2O2

SMILES: Nc1ccccc1-c1ccccc1CNc1cccc(C(=O)O)c1C(F)(F)F

BIRTHDAY: 2018-11-30T03:41:16.152084
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis plan pending
FORMULA:C26H30N2O3

SMILES: COc1ccccc1-c1ccccc1C(N)(N)[C@@]12C=CC=C(C(C)(C)C)[C@@H]1OC=CO2

BIRTHDAY: 2018-11-30T03:41:16.161994
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:C18H25O4P

SMILES: CC(C)Cc1ccc(C(C)(C)C)c(-c2ccc(P(=O)(O)O)o2)c1

BIRTHDAY: 2018-11-30T03:41:16.169847
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:C23H30N6O2

SMILES: CC(C)Cn1cc(NC(=O)Nc2ccc(-c3noc(C4CC4)n3)cc2)c(C(C)(C)C)n1

BIRTHDAY: 2018-11-30T03:41:16.187605
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C21H20F3N3O2

SMILES: O=C(c1cccc2[cH-]c(NCc3cccc(C(F)(F)F)c3)[nH+]c12)N1CCOCC1

BIRTHDAY: 2018-11-30T03:41:16.197434
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis plan pending
FORMULA:C10H13F2NO3S

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

BIRTHDAY: 2018-11-30T03:41:16.205246
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis plan pending
FORMULA:C20H18N3O5P

SMILES: COc1ccc(-c2cn(-c3ccc(N)cc3)nc2-c2ccc(P(=O)(O)O)o2)cc1

BIRTHDAY: 2018-11-30T03:41:16.215170
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis plan pending
FORMULA:C20H19N3O2

SMILES: Nc1ccccc1-c1cccc(CNc2c(N)cccc2C(=O)O)c1

BIRTHDAY: 2018-11-30T03:41:16.242131
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis plan pending
FORMULA:C15H22N4O4S

SMILES: CC1(C)SC(=O)[C@H]2C=CC=C[C@H]2N(CC(=O)O)[C@]12NN[C@](C)(N)O2

BIRTHDAY: 2018-11-30T03:41:16.251776
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis plan pending
FORMULA:C20H14F3NO2

SMILES: Nc1ccccc1-c1cccc(C(=O)O)c1-c1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-30T03:41:16.261091
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis plan pending
FORMULA:C23H22ClNO4

SMILES: COc1cc(-c2ccc(CNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O

BIRTHDAY: 2018-11-30T03:41:16.269813
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis plan pending
FORMULA:C25H30O4

SMILES: CC(C)Cc1ccc(C(C)C)c(C(C)C)c1-c1c(-c2ccoc2)coc1C(=O)O

BIRTHDAY: 2018-11-30T03:41:16.278825
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis plan pending
FORMULA:C21H28N3O5P

SMILES: COc1cccc(-c2c(-c3cocc3P(=O)(O)O)cnn2CC(C)C)c1NC(C)C

BIRTHDAY: 2018-11-19T08:12:01.600159
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C10H11N6O4P

SMILES: Cn1c(-c2cocc2P(=O)(O)O)nnc1-c1[nH]ncc1N

BIRTHDAY: 2018-11-19T08:12:01.658536
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis plan pending
FORMULA:C24H21N3O3

SMILES: COc1ccc(-c2ccc(-c3noc([C@H](CC(N)=O)c4ccccc4)n3)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:01.685218
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis plan pending
FORMULA:C19H27N3O9S

SMILES: CS(=O)(=O)NC[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COC(O)(O)C1

BIRTHDAY: 2018-11-19T08:12:01.701545
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis plan pending
FORMULA:C19H19F3N4O4

SMILES: NC(=O)c1ccc(NCC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)O)cc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:12:01.715975
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:C29H28N2O5

SMILES: Cc1ccc(N2C(c3ccc(-c4ccc(CC(C)C)cc4)o3)=NO[C@]2(C(=O)O)c2ccco2)cc1C

BIRTHDAY: 2018-11-19T08:12:01.732704
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis plan pending
FORMULA:C24H32O3

SMILES: COc1ccc(C(C)C)c(-c2cccc(C(C)(C)C(=O)O)c2C(C)(C)C)c1

BIRTHDAY: 2018-11-19T08:12:01.744413
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis plan pending
FORMULA:C16H18F2N2O2S

SMILES: Nc1cccc(S(=O)(=O)CC[C@@H](N)Cc2ccc(F)cc2F)c1

BIRTHDAY: 2018-11-19T08:12:01.754780
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis plan pending
FORMULA:C20H16N2O3

SMILES: Nc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:01.763176
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis plan pending
FORMULA:C26H36O3

SMILES: COc1ccc(-c2ccc(C(C)(C)CC(=O)O)cc2C(C)(C)C)cc1C(C)(C)C

BIRTHDAY: 2018-11-19T08:12:01.771011
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis plan pending
FORMULA:C23H21N3O6

SMILES: NC(=O)c1ccc(-c2ccco2)cc1NCC(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)O

BIRTHDAY: 2018-11-19T08:12:01.782517
ATC: V09G
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- CARDIOVASCULAR SYSTEM
Synthesis plan pending
FORMULA:C23H15F4N3O3

SMILES: NC(=O)c1ccc2c(ncn2Cc2ccc(F)cc2)c1-c1cc(C(F)(F)F)ccc1C(=O)O

BIRTHDAY: 2018-11-19T08:12:01.794357
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C29H28N2O5

SMILES: Cc1cccc(C)c1N1C(C(=O)O)=NO[C@@]1(c1ccoc1)c1cocc1-c1ccccc1CC(C)C

BIRTHDAY: 2018-11-19T08:12:01.806999
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis plan pending
FORMULA:C25H26N2O4

SMILES: Cc1ccc(N2C(c3ccc(-c4ccc(CC(C)C)cc4)o3)=NO[C@@H]2C(=O)O)cc1C

BIRTHDAY: 2018-11-19T08:12:01.816801
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis plan pending
FORMULA:C17H14O3S2

SMILES: COc1ccccc1C1=CSCc2cc3c(cc2S1)OCO3

BIRTHDAY: 2018-11-19T08:12:01.824899
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis plan pending
FORMULA:C17H24NO4P

SMILES: CC(C)Cc1c(NC(C)C)cccc1-c1cocc1P(=O)(O)O

BIRTHDAY: 2018-11-19T08:12:01.833293
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis plan pending
FORMULA:C17H12FNO3

SMILES: Nc1ccc(-c2cc(C(=O)O)c(-c3ccc(F)cc3)o2)cc1

BIRTHDAY: 2018-11-19T08:12:01.850003
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis plan pending
FORMULA:C17H18F2N4O2

SMILES: NC(=O)N[C@@]1(Cc2cc(F)ccc2F)[C@H]2C[C@H]3[C@@H]1O[C@H]1C=NN[C@@]13C2

BIRTHDAY: 2018-11-19T08:12:01.860114
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C20H14F3NO2

SMILES: Nc1cccc(-c2ccc(C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)c1

BIRTHDAY: 2018-11-19T08:12:01.868816
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C22H21N5O3

SMILES: Cc1cccc(C(=O)N[C@@H](C)Cc2c[nH]c3ccc(-n4cnc(C(=O)O)n4)cc23)c1

BIRTHDAY: 2018-11-19T08:12:01.878578
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis plan pending
FORMULA:C23H21Cl2NO4

SMILES: COc1ccc(C(=O)O)cc1-c1ccc(CNC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1

BIRTHDAY: 2018-11-19T08:12:01.887802
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis plan pending
FORMULA:C29H23FN2O2

SMILES: COc1ccc(-c2ccc(-c3noc(C[C@@H](c4ccccc4)c4ccc(F)cc4)n3)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:01.897396
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis plan pending
FORMULA:C23H19FNO6P

SMILES: O=C(NCCc1ccc(-c2ccc(P(=O)(O)O)o2)cc1)c1ccc(-c2ccc(F)cc2)o1

BIRTHDAY: 2018-11-19T08:12:01.907424
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:C23H26N4O3

SMILES: CC(C)c1cn(CC(=O)O)nc1-c1ccccc1[C@]1(N)CN=C2C=CC=C[C@H]2CO1

BIRTHDAY: 2018-11-19T08:12:01.917251
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C25H27N7O3S3

SMILES: NC(=O)C1=C(N)S[S@]2(S1)c1cccc(c1)OCCC[C@](N)(C(N)=O)NCc1cccc(c1)-c1cc2ncn1

BIRTHDAY: 2018-11-19T08:12:01.930363
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C10H13F2NO3S

SMILES: N[C@@H](CCS(=O)(=O)O)Cc1ccc(F)c(F)c1

BIRTHDAY: 2018-11-19T08:12:01.948273
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis plan pending
FORMULA:C20H14F3NO2

SMILES: Nc1ccc(-c2ccc(C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:01.956972
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C26H19FN2O5

SMILES: O=C(O)c1occ(-c2ccccc2NC[C@@]23C=CC=C[C@H]2C(=O)OC=N3)c1-c1ccccc1F

BIRTHDAY: 2018-11-19T08:12:01.968937
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis plan pending
FORMULA:C12H11F3N5O4P

SMILES: C[C@H](n1c(-c2cocc2P(=O)(O)O)nc2ncnc(N)c21)C(F)(F)F

BIRTHDAY: 2018-11-19T08:12:01.980095
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C22H21ClN2O4

SMILES: COc1ccc(C(=O)O)c(-c2cccc(C(N)(N)[C@H](O)c3ccccc3Cl)c2)c1

BIRTHDAY: 2018-11-19T08:12:01.989475
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis plan pending
FORMULA:C31H42N4O3

SMILES: CC(C)Cc1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)nn(CC(=O)N[C@H](CC(C)C)C(=O)O)c2N)cc1

BIRTHDAY: 2018-11-19T08:12:02.014868
ATC: B05A
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- BLOOD AND RELATED PRODUCTS
Synthesis plan pending
FORMULA:C18H19O5P

SMILES: CC(C)Cc1ccccc1-c1cocc1-c1cocc1P(=O)(O)O

BIRTHDAY: 2018-11-19T08:12:02.031085
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis plan pending
FORMULA:C21H26O5

SMILES: CC(C)C[C@@H](C)[C@@H](C)Cc1ccccc1-c1c(C(=O)O)coc1C(=O)O

BIRTHDAY: 2018-11-19T08:12:02.040096
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis plan pending
FORMULA:C25H26N2O4

SMILES: Cc1ccc(N2C(c3ccc(-c4ccc(CC(C)C)cc4)o3)=NO[C@H]2C(=O)O)cc1C

BIRTHDAY: 2018-11-19T08:12:02.049366
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis plan pending
FORMULA:C24H30N4O5

SMILES: CC(=O)Nc1ccccc1C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:12:02.067517
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C11H12N5O4P

SMILES: Cn1ccc(-c2nnc(-c3ccc(P(=O)(O)O)o3)n2C)n1

BIRTHDAY: 2018-11-19T08:12:02.076528
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C19H14FNO5

SMILES: O=C(O)CNc1ccccc1-c1c(-c2ccccc2F)coc1C(=O)O

BIRTHDAY: 2018-11-19T08:12:02.086181
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis plan pending
FORMULA:C16H19N3O9S

SMILES: N[C@@H](C(=O)O)[C@@H](O)C(=O)N[C@H](Cc1cccc(N2C(=O)CCS2(=O)=O)c1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:02.097149
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
FORMULA:C23H21F3N2O3

SMILES: Nc1ccc(-c2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2)cc1[C@@H](O)C(F)(F)F

BIRTHDAY: 2018-11-19T08:12:02.116823
ATC: C02B
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, GANGLION-BLOCKING
Synthesis plan pending
FORMULA:C19H18O4

SMILES: CC(C)Cc1ccccc1-c1coc(C(=O)O)c1-c1ccoc1

BIRTHDAY: 2018-11-19T08:12:02.135475
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:C26H27N3O4

SMILES: Nc1ccc([C@H](O)C2=CNOCC2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:12:02.145613
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C23H31N3O3

SMILES: COc1ccc(-c2ccc(CNC[C@H](O)[C@]3(C)NC(=O)N3CC(C)C)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:02.154807
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis plan pending
FORMULA:C14H18NO4P

SMILES: CC(C)Cc1c(N)cccc1-c1cocc1P(=O)(O)O

BIRTHDAY: 2018-11-19T08:12:02.163279
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis plan pending
FORMULA:C32H38N8O2S3

SMILES: C[C@H]1Nc2cccc3c2N=C1c1cccc2c1SN(CCN1CCNC[C@@H](O)CNCc4nc(cs4)C4=N[C@@H](CS4)[C@H]1CO3)C2

BIRTHDAY: 2018-11-19T08:12:02.178054
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis plan pending
FORMULA:C16H18F2N2O2S

SMILES: Nc1ccc(S(=O)(=O)CC[C@@H](N)Cc2cc(F)ccc2F)cc1

BIRTHDAY: 2018-11-19T08:12:02.186872
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C21H17F3N2O2

SMILES: Nc1cccc(-c2ccc(CNc3cc(C(F)(F)F)ccc3C(=O)O)cc2)c1

BIRTHDAY: 2018-11-19T08:12:02.196569
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis plan pending
FORMULA:C13H17F3N2O

SMILES: CC(C)C[C@@H](C(N)=O)c1cccc(N)c1C(F)(F)F

BIRTHDAY: 2018-11-19T08:12:02.204531
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:C14H19N3O3

SMILES: CC(C)Cc1cccc2c(=O)nnn(C[C@@H](O)CO)c12

BIRTHDAY: 2018-11-19T08:12:02.212330
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis plan pending
FORMULA:C33H34N6O4S2

SMILES: CC(C)Cc1cccc(-c2coc(-c3noc(=O)n3-c3cccc4c3NCc3nc(cs3)C3=N[C@H](CNCCOC4)CS3)c2)c1

BIRTHDAY: 2018-11-19T08:12:02.226376
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis plan pending
FORMULA:C12H11F3N5O4P

SMILES: C[C@H](n1c(-c2cocc2P(=O)(O)O)nc2nc(N)ncc21)C(F)(F)F

BIRTHDAY: 2018-11-19T08:12:02.237663
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis plan pending
FORMULA:C24H32ClN3O3S

SMILES: CC(C)(NC(=O)[C@H](CNS(C)(=O)=O)c1ccccc1)N1CCCC[C@H]1c1ccccc1Cl

BIRTHDAY: 2018-11-19T08:12:02.248215
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis plan pending
FORMULA:C39H48N6O3

SMILES: CC(C)CNC(=O)c1cnc2cc1-c1ccnc(n1)Nc1cccc(c1)[C@@](N)(C(C)C)O[C@@H](c1ccc(CC(C)C)cc1)C=CCCO2

BIRTHDAY: 2018-11-19T08:12:02.261375
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis plan pending
FORMULA:C29H23FN2O2

SMILES: COc1ccccc1-c1ccccc1-c1nc(C[C@@H](c2ccccc2)c2ccccc2F)no1

BIRTHDAY: 2018-11-19T08:12:02.271255
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis plan pending
FORMULA:C23H30N6O2

SMILES: CC(C)Cn1ncc(C(C)(C)C)c1NC(=O)Nc1ccccc1-c1nc(C2CC2)no1

BIRTHDAY: 2018-11-19T08:12:02.281409
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis plan pending
FORMULA:C21H19FO3

SMILES: CC(C)Cc1ccccc1-c1c(-c2cccc(F)c2)coc1C(=O)O

BIRTHDAY: 2018-11-19T08:12:02.290023
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C25H28O4

SMILES: COc1cccc(-c2cccc(C(C)(C)c3ccoc3C(=O)O)c2C(C)(C)C)c1

BIRTHDAY: 2018-11-19T08:12:02.299180
ATC: S01F
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- MYDRIATICS AND CYCLOPLEGICS
Synthesis plan pending
FORMULA:C24H28N4

SMILES: CC(C)Cc1ccccc1-c1[nH]nc(-c2cc(N)cc3c2[C@@H]2CC[C@@H]3C2)c1N

BIRTHDAY: 2018-11-19T08:12:02.307748
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis plan pending
FORMULA:C19H24N6O4

SMILES: Cc1cc(-c2cn([C@H]3NON=C3N)nc2C(C)C)ccc1C(=O)NCCC(=O)O

BIRTHDAY: 2018-11-19T08:12:02.317801
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C27H29N3O5

SMILES: Cc1ccc(N2C(c3ccc(-c4ccc(CC(C)C)cc4)o3)=NO[C@@H]2C(=O)NCC(=O)O)cc1C

BIRTHDAY: 2018-11-19T08:12:02.328934
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis plan pending
FORMULA:C17H13Cl3N3O5P

SMILES: NC(=O)c1cc(Nc2cc(Cl)c(Cl)cc2Cl)cc(-c2ccc(P(=O)(O)O)o2)c1N

BIRTHDAY: 2018-11-19T08:12:02.350515
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis plan pending
FORMULA:C17H23N6O5P

SMILES: Nc1ncc2nc(-c3ccc(P(=O)(O)O)o3)n(CCCCN3CCOCC3)c2n1

BIRTHDAY: 2018-11-19T08:12:02.361687
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C21H27N9O7

SMILES: CN1C(=O)N[C@@](C)(C(N)=O)c2c(C[C@@H](N)[C@@H](O)C(=O)N[C@@H](Cc3cccc(N)c3)C(=O)O)nnc(=O)n21

BIRTHDAY: 2018-11-19T08:12:02.375497
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
FORMULA:C30H36N2O4

SMILES: CC(C)Cc1ccc(-c2ccc(C3=NOC(C(C)C)(C(C)C)N3Cc3ccc(C(=O)O)cc3)o2)cc1

BIRTHDAY: 2018-11-30T17:23:38.039427
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C43H46FN5O3

SMILES: Nc1ccccc1-c1ccc([C@@H]2COCCCC=Cc3cnc(N4CCc5nc(ccc5F)NCCCCOc5cccc(c5)C4)c(c3)OC2)cc1

BIRTHDAY: 2018-11-30T17:23:38.053759
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C24H25F3N4O3

SMILES: Cc1cc(-n2cc(C(C)(C)C)c(NC(=O)Nc3ccc(C(F)(F)F)cc3)n2)c(C)cc1C(=O)O

BIRTHDAY: 2018-11-30T17:23:38.073765
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H20Cl2N2O4

SMILES: COc1cccc(C(=O)O)c1-c1ccccc1C(N)(N)[C@H](O)c1c(Cl)cccc1Cl

BIRTHDAY: 2018-11-30T17:23:38.084456
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C16H19N3O4S

SMILES: CN1c2cc(-c3cccc(N)c3)ccc2N(C[C@@H](O)CO)S1(=O)=O

BIRTHDAY: 2018-11-30T17:23:38.126809
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C26H29F3N4O3

SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n(-c2cccc(C3COCCOC3)c2)n1

BIRTHDAY: 2018-11-30T17:23:38.153734
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H19N3O3

SMILES: Cc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c(N)c1

BIRTHDAY: 2018-11-30T17:23:38.162253
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C17H24NO4P

SMILES: CC(C)Cc1c(NC(C)C)cccc1-c1ccc(P(=O)(O)O)o1

BIRTHDAY: 2018-11-30T17:23:38.177926
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C22H23F3N4O

SMILES: Cc1ccc(-n2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c(C(C)(C)C)n2)cc1

BIRTHDAY: 2018-11-30T17:23:38.187656
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C23H20O5

SMILES: CC(C)Cc1ccc(-c2c(-c3ccco3)oc(-c3ccco3)c2C(=O)O)cc1

BIRTHDAY: 2018-11-30T17:23:38.196226
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C17H15N2O5P

SMILES: NC(=O)c1c(-c2cocc2P(=O)(O)O)ccc(N)c1-c1ccccc1

BIRTHDAY: 2018-12-02T16:06:45.847079
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C23H21ClN2O6

SMILES: NC(N)(c1ccccc1-c1cccc(OCC(=O)O)c1C(=O)O)[C@@H](O)c1ccccc1Cl

BIRTHDAY: 2018-12-02T16:06:45.874792
ATC: C05B
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- ANTIVARICOSE THERAPY
Synthesis Plan
FORMULA:C17H20N3O5P

SMILES: COc1ccccc1-c1c(-c2cocc2P(=O)(O)O)cnn1C[C@H](C)N

BIRTHDAY: 2018-12-02T16:06:45.893877
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C19H17FN6

SMILES: Nc1ncc2nc(-c3ccccc3F)n(CCCc3ccncc3)c2n1

BIRTHDAY: 2018-12-02T16:06:45.902754
ATC: P01C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS
Synthesis Plan
FORMULA:C12H11F3N5O4P

SMILES: Nc1ncc2nc(-c3ccc(P(=O)(O)O)o3)n(CCC(F)(F)F)c2n1

BIRTHDAY: 2018-12-02T16:06:45.913056
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C16H15N2O7P

SMILES: COc1ccccc1-c1c(-c2cocc2P(=O)(O)O)cnn1CC(=O)O

BIRTHDAY: 2018-12-02T16:06:45.922929
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C20H17N3O4S

SMILES: CSc1ccc(-c2ccc(/C=N/NC(=O)Nc3cccc(C(=O)O)c3)o2)cc1

BIRTHDAY: 2018-12-02T16:06:45.931951
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C22H23F3N4O2

SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccccc2C(F)(F)F)nn1-c1ccccc1CO

BIRTHDAY: 2018-12-02T16:06:45.942059
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H30N6O5S

SMILES: Cc1cocc1[C@]12N=CN[C@@H]1NCCN[C@@](C(=O)O)(C(C)C)CSC(=O)C(=O)NCCN2

BIRTHDAY: 2018-12-02T16:06:45.962847
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C24H25FO3

SMILES: CC(C)C[C@@H](C)Cc1ccc(-c2oc(C(=O)O)cc2-c2ccc(F)cc2)cc1

BIRTHDAY: 2018-12-02T16:06:45.971015
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C14H17N5O2

SMILES: C[C@@H](N)[C@@]1(C)CNc2c(-n3ncnc3C(=O)O)cccc21

BIRTHDAY: 2018-12-02T16:06:45.979854
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C25H26N2O4

SMILES: Cc1cccc(C)c1N1C(C(=O)O)=NO[C@@H]1c1cocc1-c1ccccc1CC(C)C

BIRTHDAY: 2018-12-02T16:06:45.990610
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C18H14F3N5OS

SMILES: CC1=CC(c2occc2Sc2cc(C(F)(F)F)cc(N)c2C#N)=CC(N)=NN1

BIRTHDAY: 2018-12-02T16:06:46.000600
ATC: G02C
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- OTHER GYNECOLOGICALS
Synthesis Plan
FORMULA:C24H25FO3

SMILES: CC(C)C[C@@H](C)Cc1ccccc1-c1c(-c2cccc(F)c2)coc1C(=O)O

BIRTHDAY: 2018-12-02T16:06:46.017226
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C22H20N2O4

SMILES: Nc1cccc(C(=O)O)c1-c1ccccc1C(=O)N[C@H](CO)c1ccccc1

BIRTHDAY: 2018-12-02T16:06:46.026647
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C7H7N7

SMILES: CC1(n2cnc3nc(N)ncc32)N=N1

BIRTHDAY: 2018-12-03T10:43:07.881823
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:C18H18N6O2

SMILES: C[C@]1([C@H](N)C(=O)O)CNc2c(-n3ncnc3-c3ccccn3)cccc21

BIRTHDAY: 2018-12-03T10:43:07.891616
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C17H23ClN4OS

SMILES: CC(C)C[C@@H](C)[C@H](N)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1

BIRTHDAY: 2018-12-03T10:43:07.900373
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C31H38N2O6

SMILES: Cc1c2ccc(NCC(=O)O)c1CC(=O)[C@H](c1ccc(-c3ccc(CC(C)C)cc3)o1)OCCNCCOC2

BIRTHDAY: 2018-12-03T10:43:07.919528
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C21H33N5O3S

SMILES: CNC(=O)Cn1nc(C(C)(C)C)cc1-c1ccc(NCC(C)(C)C)c(S(N)(=O)=O)c1

BIRTHDAY: 2018-12-03T10:43:07.929441
ATC: V08D
- VARIOUS
- CONTRAST MEDIA
- ULTRASOUND CONTRAST MEDIA
Synthesis Plan
FORMULA:C19H20F3NO5S

SMILES: CS(=O)(=O)NCCCCOc1ccc(-c2ccc(C(=O)O)c(C(F)(F)F)c2)cc1

BIRTHDAY: 2018-12-03T10:43:07.939168
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C19H18ClN5O2S

SMILES: NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@]1(c2ccccc2Cl)C=NN=CS1

BIRTHDAY: 2018-12-03T10:43:07.956780
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C24H21F5N2O3S

SMILES: C[C@H]([C@H](Cc1cccc(F)c1F)NC(=O)c1ccccc1C(F)(F)F)S(=O)(=O)c1cccc(N)c1

BIRTHDAY: 2018-12-03T10:43:07.968334
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C25H31N5O3

SMILES: CC(C)(NC(=O)c1ccccc1-c1n[nH]c(C(C)(C)C)c1N)NC(=O)[C@H](O)c1ccccc1

BIRTHDAY: 2018-12-03T10:43:07.980573
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C10H13F2NO3S

SMILES: N[C@H](CCS(=O)(=O)O)Cc1ccc(F)c(F)c1

BIRTHDAY: 2018-12-03T10:43:07.988084
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C29H28N2O5

SMILES: Cc1cccc(C)c1N1C(C(=O)O)=NO[C@]1(c1ccoc1)c1cocc1-c1cccc(CC(C)C)c1

BIRTHDAY: 2018-12-03T10:43:07.999953
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C22H31N3O3

SMILES: Cc1cc(-c2cc(C(C)(C)C)nn2CC(C)C)ccc1C(=O)NCCC(=O)O

BIRTHDAY: 2018-12-03T10:43:08.008429
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H21F3N2O3

SMILES: Nc1ccc(-c2ccc(C(=O)N[C@@H](CO)c3ccccc3)cc2)cc1[C@@H](O)C(F)(F)F

BIRTHDAY: 2018-12-03T10:43:08.018194
ATC: C02B
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, GANGLION-BLOCKING
Synthesis Plan
FORMULA:C17H20O5S

SMILES: CC(C)Cc1cc(CO)cc(-c2coc3c2S(=O)(=O)OCC3)c1

BIRTHDAY: 2018-12-03T10:43:08.026589
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H29F2N

SMILES: N[C@@H](Cc1cc(F)cc(F)c1)[C@]12CCCCC[C@@]3(C=CC=C[C@H]31)CCC2

BIRTHDAY: 2018-12-03T10:43:08.034581
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H20F4N4O2

SMILES: O=C(NCC(F)(F)F)c1c(-c2ccco2)nn2c1N[C@@H](c1ccccc1-c1ccccc1F)CC2

BIRTHDAY: 2018-12-03T10:43:08.046156
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C18H25O4P

SMILES: CC(C)Cc1c(-c2ccc(P(=O)(O)O)o2)cccc1C(C)(C)C

BIRTHDAY: 2018-12-03T10:43:08.063621
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C25H26N4O3

SMILES: NC(=O)c1cccc(NCC(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1

BIRTHDAY: 2018-12-03T19:11:32.715180
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C24H21N3O3

SMILES: COc1cccc(-c2ccccc2-c2nc([C@H](CC(N)=O)c3ccccc3)no2)c1

BIRTHDAY: 2018-12-03T19:11:32.731989
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C19H23N2O5P

SMILES: COc1ccc(-c2cn(CCC(C)C)nc2-c2ccc(P(=O)(O)O)o2)cc1

BIRTHDAY: 2018-12-03T19:11:32.750663
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:C26H23F6N3O3

SMILES: C[C@@H](Cc1cccc(Nc2cccc(C(F)(F)F)c2C(F)(F)F)c1)[C@]12C=CC=C[C@]1(C(=O)O)N=CN2CO

BIRTHDAY: 2018-12-03T19:11:32.763813
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C24H32N4O4

SMILES: CC[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1NC(=O)c1cc(N)cc(N)c1)C(=O)O

BIRTHDAY: 2018-12-03T19:11:32.773583
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C23H28FNO3S

SMILES: CC(C)[C@@H]1CCN(CC[C@@H]2C[S@@+]([O-])[C@](c3ccccc3)(c3ccc(F)cc3)O2)O1

BIRTHDAY: 2018-12-03T19:11:32.782750
ATC: J01E
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- SULFONAMIDES AND TRIMETHOPRIM
Synthesis Plan
FORMULA:C19H32NO4P

SMILES: CC(C)C[C@@H](Cc1ccccc1)C(=O)NCCCCCCP(=O)(O)O

BIRTHDAY: 2018-12-03T19:11:32.790775
ATC: V09X
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- OTHER DIAGNOSTIC RADIOPHARMACEUTICALS
Synthesis Plan
FORMULA:C30H36N2O4

SMILES: CC(C)Cc1ccccc1-c1cocc1[C@]1(C(C)C)ON=C(C(C)C)N1Cc1cccc(C(=O)O)c1

BIRTHDAY: 2018-12-03T19:11:32.802200
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C15H28N2O5

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

BIRTHDAY: 2018-12-03T19:11:32.818612
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C26H23ClN6O4

SMILES: COc1ccc(-c2ccc(-c3noc([C@]4(CNC(=O)c5ccc(N)c(Cl)c5)CNC(=O)N4)n3)cc2)cc1

BIRTHDAY: 2018-12-03T19:11:32.853352
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C16H18F2N2O2S

SMILES: C[C@H]([C@H](N)Cc1cccc(F)c1F)S(=O)(=O)c1cccc(N)c1

BIRTHDAY: 2018-12-03T19:11:32.869835
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C24H25FO3

SMILES: CC(C)Cc1cccc(-c2c(-c3cccc(F)c3)coc2C(=O)O)c1C(C)C

BIRTHDAY: 2018-12-01T22:30:38.435846
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C22H24N4O4

SMILES: CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

BIRTHDAY: 2018-12-01T22:30:38.446057
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C28H30N4O4

SMILES: C[C@@H]1NC(c2ccc(N3CCOCC3)c(-c3ccc(C(=O)N[C@H](CO)c4ccccc4)cc3)c2)=NO1

BIRTHDAY: 2018-12-01T22:30:38.456793
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C27H40O3

SMILES: CC(C)Cc1ccc(-c2coc(C(=O)O)c2C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C

BIRTHDAY: 2018-12-01T22:30:38.468907
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C17H13Cl3N3O5P

SMILES: NC(=O)c1cc(Nc2cc(Cl)cc(Cl)c2Cl)cc(-c2ccc(P(=O)(O)O)o2)c1N

BIRTHDAY: 2018-12-01T22:30:38.488717
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:C19H20N2O5

SMILES: CC(C)Cc1ccc(-c2ccc(-c3noc(=O)n3CCC(=O)O)o2)cc1

BIRTHDAY: 2018-12-01T22:30:38.497423
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C17H20F3N7

SMILES: Cn1cc(-c2cnn3c(NCC(F)(F)F)cc([C@@H]4CCCNC4)nc23)cn1

BIRTHDAY: 2018-12-01T22:30:38.507457
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C21H20Cl2N2O2

SMILES: COc1ccccc1-c1ccccc1C(N)(N)[C@H](O)c1c(Cl)cccc1Cl

BIRTHDAY: 2018-12-01T22:30:38.518055
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C17H22FN3O3

SMILES: C[C@H](N)C[C@@H]1[C@@H](c2ccc(F)cc2)N[C@@H]2C[C@H]1N(CC(=O)O)C2=O

BIRTHDAY: 2018-12-01T22:30:38.534732
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis Plan
FORMULA:C33H67NO3S2

SMILES: CC(S)(S)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)NC(CO)CO

BIRTHDAY: 2018-12-01T22:30:38.543830
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C29H23FN2O2

SMILES: COc1cccc(-c2ccccc2-c2nc(C[C@H](c3ccccc3)c3cccc(F)c3)no2)c1

BIRTHDAY: 2018-12-01T22:30:38.553724
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C23H21Cl2NO4

SMILES: COc1cc(-c2ccc(CNC[C@H](O)c3ccc(Cl)c(Cl)c3)cc2)ccc1C(=O)O

BIRTHDAY: 2018-12-01T22:30:38.562899
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C15H12Cl2F3N5

SMILES: CC(C)(n1c(-c2cc(Cl)cc(Cl)c2)nc2nc(N)ncc21)C(F)(F)F

BIRTHDAY: 2018-12-01T22:30:38.587591
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C4H9NO5S

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

BIRTHDAY: 2018-12-01T22:30:38.594613
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan