matter.farm

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

These compounds may interact with:

Sphingosine 1-phosphate receptor 3

Potentially involved in: carcinoma; multiple sclerosis; adult high grade glioma; astrocytoma; astrocytoma, pilocytic; atypical teratoid / rhabdoid tumor; breast cancer; ductal carcinoma in situ; ependymoma; glioblastoma; interstitial cystitis; intraductal papillary-mucinous adenoma (ipma); intraductal papillary-mucinous carcinoma (ipmc); intraductal papillary-mucinous neoplasm (ipmn); invasive ductal carcinoma; osteosarcoma; ovarian cancer; pancreatic cancer; pick disease; pituitary cancer

Disease data sourced from Pharos.

Modulator

FORMULA:C28H31ClN2O3

SMILES: N#CC1=C(c2ccc(Cl)cc2)CCCCCCC=CCc2cc(OC[C@H](N)CO)ccc2C1=O

BIRTHDAY: 2018-12-01T14:10:29.438307
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C26H47N2O6P

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1cccc([C@](N)(CO)COP(=O)(O)O)c1

BIRTHDAY: 2018-12-01T14:10:29.448435
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H45FN2O6S

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N[C@H](CO)C(=O)O

BIRTHDAY: 2018-12-01T14:10:29.459255
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H34HgNO2

SMILES: CCCCOc1ccc(CNC(=O)C(C)(C)CCCCCC[Hg])cc1

BIRTHDAY: 2018-12-01T14:10:29.466458
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C29H50N2O3

SMILES: C[C@H](C(=O)Nc1c(O)cccc1C(N)=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:29.475411
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C21H23F3N2O3

SMILES: COc1ccc(C(=O)NCCCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1

BIRTHDAY: 2018-12-01T14:10:29.484389
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C28H48N2O2

SMILES: CCCCCCCCCCCCCCCCCC[C@@H](C)C(=O)Nc1cccc(C(N)=O)c1

BIRTHDAY: 2018-12-01T14:10:29.492419
ATC: A01A
- ALIMENTARY TRACT AND METABOLISM
- STOMATOLOGICAL PREPARATIONS
- STOMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C9H14N3O2P

SMILES: C[C@@H](c1npnc(C(=O)O)n1)C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:29.499667
ATC: V09I
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- TUMOUR DETECTION
Synthesis Plan
FORMULA:C29H50N2O2

SMILES: C[C@H](C(=O)Nc1ccccc1C(N)=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:29.508189
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C29H50N2O3

SMILES: COc1cccc(C(N)=O)c1NC(=O)CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:29.516783
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C23H24F3N3O2

SMILES: COc1ccc(-c2noc(-c3ccc(C4CCC4)c(C(F)(F)F)c3)n2)cc1C[C@@H](C)N

BIRTHDAY: 2018-12-01T14:10:29.526554
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C29H50N2O3

SMILES: C[C@@H](C(=O)Nc1c(O)cccc1C(N)=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:29.535490
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C29H50N2O3

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(N)=O)cc1OC

BIRTHDAY: 2018-12-01T14:10:29.543881
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H24F3N3O2

SMILES: COc1ccc(-c2noc(-c3ccc(C4CCC4)c(C(F)(F)F)c3)n2)cc1C[C@H](C)N

BIRTHDAY: 2018-12-01T14:10:29.554321
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C26H43FN2O6S

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

BIRTHDAY: 2018-12-01T14:10:29.565528
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C27H46N2O2

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(N)=O)cc1

BIRTHDAY: 2018-12-01T14:10:29.573710
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H41N3O3

SMILES: CCCCCCCCCCCCCCC1=CCNC(C(=O)NC(CO)CO)=N1

BIRTHDAY: 2018-12-01T14:10:29.582177
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C27H37N3O3

SMILES: CC(C)(CC(=O)Nc1ccccc1-c1ccccc1)C(C)(C)[C@]1(N)OC[C@@H]2C[C@H]1CN[C@@H]2O

BIRTHDAY: 2018-12-01T14:10:29.592391
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C29H50N2O2

SMILES: C[C@@H](C(=O)Nc1ccccc1C(N)=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:29.601346
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H47N2O6P

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1ccccc1[C@](N)(CO)COP(=O)(O)O

BIRTHDAY: 2018-12-25T02:02:32.041885
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H23F3N2O3

SMILES: COc1cccc(C(=O)NC(C)(C)[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1

BIRTHDAY: 2018-12-25T02:02:32.051003
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C14H21NO7

SMILES: CC(C)C[C@H](NC(=O)[C@H]1OO[C@@]2(C[C@H]3CC[C@H]2O3)O1)C(=O)O

BIRTHDAY: 2018-12-25T02:02:32.059553
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H27F3N4O2S

SMILES: COc1ccc(Cc2c3cccc2-c2cc(ncn2)SCCN[C@@H](C(F)(F)F)OCCNC3)cc1

BIRTHDAY: 2018-12-25T02:02:32.070542
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C37H59N3O3

SMILES: C[C@@H](CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1C(N)(N)CC(=O)O

BIRTHDAY: 2018-12-25T02:02:32.081480
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C30H52N2O3

SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(N)=O)c(O)c1

BIRTHDAY: 2018-12-25T02:02:32.091747
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C29H50N2O3

SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)c(C(N)=O)c1

BIRTHDAY: 2018-12-25T02:02:32.110675
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C30H52N2O2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)Nc1ccccc1C(N)=O

BIRTHDAY: 2018-12-25T02:02:32.119219
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C26H47N2O6P

SMILES: CC(C)CCCCCCCCCCCCCC(=O)Nc1ccc([C@](N)(CO)COP(=O)(O)O)cc1

BIRTHDAY: 2018-12-25T02:02:32.129268
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C23H50N2O4S

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

BIRTHDAY: 2018-12-25T02:02:32.138607
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C27H45FN2O6S

SMILES: CC(C)CCCCCCCCCCCCC[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N[C@@H](CO)C(=O)O

BIRTHDAY: 2018-12-25T02:02:32.149089
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C27H46N2O2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)Nc1ccccc1C(N)=O

BIRTHDAY: 2018-12-25T02:02:32.156903
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C19H15N3O2

SMILES: N#CCNC(=O)C1(c2ccc(Oc3ccc(C#N)cc3)cc2)CC1

BIRTHDAY: 2018-12-25T02:02:32.164746
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C22H21N3O4

SMILES: Cc1cccc([C@@H](C)C(=O)O)c1-c1nc(-c2c(C#N)cccc2OC(C)C)no1

BIRTHDAY: 2018-12-25T02:02:32.174185
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C46H69N5O2

SMILES: CC(C)CCCCCCCCCCCCCC(=O)Nc1ccc(CNCC[C@H]2CNCc3cccc(c3)Oc3cccc(c3)CN3CCN2CC3)cc1

BIRTHDAY: 2018-12-25T02:02:32.187147
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C33H53N5O

SMILES: C[C@@H](C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)[C@@]12N=CC=NN1C=C(c1ccccc1C(N)=O)N2

BIRTHDAY: 2018-12-25T02:02:32.198378
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C29H50N2O3

SMILES: COc1cc(C(N)=O)ccc1NC(=O)CCCCCCCCCCCCCCCCC(C)(C)C

BIRTHDAY: 2018-12-25T02:02:32.216504
ATC: G03G
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- GONADOTROPINS AND OTHER OVULATION STIMULANTS
Synthesis Plan
FORMULA:C25H38N2O3

SMILES: CCCC[C@H]1CCCCOCCCN2C(=O)NCC(C)=C2C[C@@H](c2ccccc2)O1

BIRTHDAY: 2018-12-03T02:38:35.919118
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C36H59N5O3

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)N[C@]1(O)NCCn2cc(nn2)CC=CCOc2cccc1c2

BIRTHDAY: 2018-12-03T02:38:35.930820
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C27H47N3O3

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

BIRTHDAY: 2018-12-03T02:38:35.948922
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C20H19N3O3S

SMILES: COc1cccc(C(=O)N[C@H](C)c2ccccc2C(=O)Nc2cncs2)c1

BIRTHDAY: 2018-12-03T02:38:35.957968
ATC: C10B
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, COMBINATIONS
Synthesis Plan
FORMULA:C28H48N2O2

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(N)=O)cc1

BIRTHDAY: 2018-12-03T02:38:35.965784
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H47N2O5P

SMILES: CC(C)CCCCCCCCCCCCCCC(=O)Nc1ccc([C@H](N)COP(=O)(O)O)cc1

BIRTHDAY: 2018-12-03T02:38:35.975185
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C23H26N4O5S

SMILES: COc1ccc(-c2nc(-c3ccc(CC4=C(O)N(C)S(=O)(=O)N4)cc3)no2)cc1C(C)(C)C

BIRTHDAY: 2018-12-03T02:38:35.985625
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C28H48N2O2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1ccccc1C(N)=O

BIRTHDAY: 2018-12-03T02:38:35.993603
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H41N3O2

SMILES: CC(C)C[C@@H](C)CCCCCCCC[C@H](C)C(=O)Nc1ccc(C2=NONC2)cc1

BIRTHDAY: 2018-12-03T02:38:36.001847
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C28H48N2O3

SMILES: CC(C)CCCCCCCCCCCCCC(=O)Nc1ccc(CNCCCC(=O)O)cc1

BIRTHDAY: 2018-12-03T02:38:36.010029
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H34N4O2S

SMILES: Cc1cc2c3c(c1)C1=Nc4c(cccc4OC[C@H](C(C)(C)C(C)(C)O)NCCN(C2)S3)NC1

BIRTHDAY: 2018-12-03T02:38:36.019995
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C24H17F4N3O2

SMILES: O=C(NCCc1ccc(-c2noc(-c3cccc(C(F)(F)F)c3)n2)cc1)c1ccc(F)cc1

BIRTHDAY: 2018-12-03T02:38:36.030037
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H31N3O8

SMILES: COc1ccc(C[C@@H](N)C(=O)N[C@H](CCCCO)C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1

BIRTHDAY: 2018-12-03T02:38:36.040483
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis Plan
FORMULA:C23H27N3O5S

SMILES: COc1cccc(OC)c1CC(C)(C)C(=O)Nc1nnc(-c2c(OC)cccc2OC)s1

BIRTHDAY: 2018-12-03T02:38:36.058161
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C29H24N4O5

SMILES: COc1cccc(C(=O)N[C@H](C)c2ccccc2C(=O)Nc2cccc(-c3nc(-c4ccoc4)no3)c2)c1

BIRTHDAY: 2018-11-30T03:40:32.337524
ATC: M03B
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
Synthesis Plan
FORMULA:C20H19N3O2

SMILES: Cc1cccc(-c2nc(-c3c(C#N)cccc3OC(C)C)no2)c1C

BIRTHDAY: 2018-11-30T03:40:32.345882
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C34H52N2O2

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)c(C(N)=O)c1

BIRTHDAY: 2018-11-30T03:40:32.354770
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H23F3N2O3

SMILES: COc1ccccc1C(=O)NCCCCCC(=O)Nc1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-30T03:40:32.363973
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H19N3O2

SMILES: Cc1ccc(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)c(C)c1

BIRTHDAY: 2018-11-30T03:40:32.371987
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C37H61N2O5P

SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2ccc([C@H](N)COP(=O)(O)O)cc2)cc1

BIRTHDAY: 2018-11-30T03:40:32.383232
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C23H26N2O4

SMILES: COc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3)no2)cc1CC(C)(C)C

BIRTHDAY: 2018-11-30T03:40:32.401702
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C27H49N2O6P

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@H](C)C(=O)Nc1ccccc1[C@](N)(CO)COP(=O)(O)O

BIRTHDAY: 2018-11-30T03:40:32.413338
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H27N3O5S

SMILES: COc1cccc(OC)c1CC(C)(C)C(=O)Nc1nnc(-c2cccc(OC)c2OC)s1

BIRTHDAY: 2018-11-30T03:40:32.441241
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:C26H47N2O6P

SMILES: CC(C)CCCCCCCCCCCCCC(=O)Nc1ccc([C@@](N)(CO)COP(=O)(O)O)cc1

BIRTHDAY: 2018-11-30T03:40:32.451127
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C29H50N2O2

SMILES: CCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1cccc(C(N)=O)c1

BIRTHDAY: 2018-11-30T03:40:32.459165
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H39F3N2O2

SMILES: CC(C)CCCCCCCCCCCCCC(=O)Nc1ccc(C(N)=O)c(C(F)(F)F)c1

BIRTHDAY: 2018-11-30T03:40:32.467910
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H18F3N3O3

SMILES: C[C@@H](NC(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1C(=O)Nc1ccccc1C#N

BIRTHDAY: 2018-11-19T08:11:28.427349
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H37BN2O4

SMILES: CC(C)CCCCCCCCCC[C@@]12CO[BH2-]O[C@@H]1[NH+]=CN2CC(=O)O

BIRTHDAY: 2018-11-19T08:11:28.435918
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C30H52N2O3

SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(N)=O)cc1OC

BIRTHDAY: 2018-11-19T08:11:28.444494
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C27H45FN2O6S

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N[C@H](CO)C(=O)O

BIRTHDAY: 2018-11-19T08:11:28.455362
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H20F3N3O3

SMILES: COc1ccccc1C(=O)NCCc1ccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1

BIRTHDAY: 2018-11-19T08:11:28.465778
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C20H19N3O3S

SMILES: COc1cccc(C(=O)N[C@@H](C)c2ccccc2C(=O)Nc2cncs2)c1

BIRTHDAY: 2018-11-19T08:11:28.474837
ATC: C10B
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, COMBINATIONS
Synthesis Plan
FORMULA:C32H58N4O2

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1cccc(C(N)(N)[C@@H](C)[C@H]2CCOCCCN2)c1

BIRTHDAY: 2018-11-19T08:11:28.484578
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C26H44N2O3

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

BIRTHDAY: 2018-11-19T08:11:28.492726
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C20H20F4N2O2

SMILES: O=C(CCCCCNC(=O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-11-19T08:11:28.501587
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C19H23F3N2OS

SMILES: CO[C@]12C=CC=C[C@@H]1[C@@]1(c3cccc(C(F)(F)F)c3)NNC(C)(C)[S@@H]1C2

BIRTHDAY: 2018-11-19T08:11:28.510780
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C23H44N2

SMILES: CCCCCCCCCCCCCCCCCCCC1=CCCN=N1

BIRTHDAY: 2018-11-19T08:11:28.517045
ATC: A11C
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
Synthesis Plan
FORMULA:C46H70N2O2

SMILES: C[C@@H](C(=O)Nc1cccc2cc3cc(c12)CNCCCc1cccc(c1)CCCOC3)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:11:28.538756
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H27N3O5S

SMILES: COc1cccc(CC(C)(C)C(=O)Nc2nnc(-c3c(OC)cccc3OC)s2)c1OC

BIRTHDAY: 2018-11-19T08:11:28.548871
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C36H57N3O3

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(N)=O)c2c1[C@H]1C[C@H]3[C@@H]4O[C@@H](C[C@H]4C1)N23

BIRTHDAY: 2018-11-19T08:11:28.559519
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C20H24N2O3

SMILES: COc1ccc(C[C@H](C)NC[C@H](O)COc2ccccc2C#N)cc1

BIRTHDAY: 2018-11-19T08:11:28.567489
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C27H44N4O3

SMILES: CC(C)C[C@@H](C)[C@H](C)[C@@H](C)[C@@H](C)C(C)(C)CC(=O)Nc1ccc(-c2nnc([C@H](N)CO)o2)cc1

BIRTHDAY: 2018-11-19T08:11:28.577124
ATC: C02D
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis Plan
FORMULA:C28H49N3O3

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

BIRTHDAY: 2018-11-19T08:11:28.586505
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C22H40N2O4

SMILES: CC1=C(C(C)C)NC(=O)N([C@@H]2COC(O)(O)C2)[C@]1(C)C(C)(C)C(C)(C)C(C)C

BIRTHDAY: 2018-11-19T08:11:28.595878
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C25H27N3O3

SMILES: COc1ccc(C(=O)NCCCCCC(=O)Nc2ccc(-c3cccnc3)cc2)cc1

BIRTHDAY: 2018-11-19T08:11:28.604746
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:C37H58N8O3S

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)NCc1nc(cs1)-c1nnn(n1)CCNCCO2

BIRTHDAY: 2018-11-19T08:11:28.618224
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C30H29N3O3

SMILES: COc1cccc(C(=O)N[C@@H](C)c2ccccc2-c2noc(-c3ccccc3[C@@H]3CC=CCC3)n2)c1

BIRTHDAY: 2018-11-19T08:11:28.628598
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C37H47N3O4

SMILES: COc1ccc(C(=O)NC[C@H]2CC[C@@H]3NC[C@@H](Cc4ccccc4)C[C@H]3CCC(=O)Nc3ccc(cc3)CCCOC2)cc1

BIRTHDAY: 2018-11-19T08:11:28.640726
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C20H24N2O3

SMILES: COc1ccccc1C[C@H](C)NC[C@H](O)COc1cccc(C#N)c1

BIRTHDAY: 2018-11-19T08:11:28.656540
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C27H48N4O2

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1cccc(C(N)(N)[C@@H](C)C(N)=O)c1

BIRTHDAY: 2018-11-19T08:11:28.665450
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis Plan
FORMULA:C25H20F3N3O3

SMILES: COc1ccccc1C(=O)NCCc1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1

BIRTHDAY: 2018-11-19T08:11:28.686284
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C27H49N2O6P

SMILES: CC(C)CCCCCCCCCCCCCCC(=O)Nc1ccc([C@](N)(CO)COP(=O)(O)O)cc1

BIRTHDAY: 2018-11-19T08:11:28.696362
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C21H19N3O4

SMILES: Cc1cccc(-c2noc(-c3c(C#N)cccc3OC(C)(C)C(=O)O)n2)c1C

BIRTHDAY: 2018-11-19T08:11:28.705431
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H27N3O3

SMILES: O=C(O)[C@@H]1CCN1Cc1ccccc1-c1nc(-c2ccccc2C2CCCCC2)no1

BIRTHDAY: 2018-11-19T08:11:28.715124
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C26H47N2O6P

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)[C@@H](C)[C@@H](C)C(=O)Nc1ccc([C@](N)(CO)COP(=O)(O)O)cc1

BIRTHDAY: 2018-11-19T08:11:28.725496
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C20H20F3N3O3

SMILES: C[C@@H](c1ccccc1-c1nc(-c2ccccc2C(F)(F)F)no1)C(N)(CO)CO

BIRTHDAY: 2018-11-19T08:11:28.736279
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C29H24N4O5

SMILES: COc1ccccc1C(=O)N[C@@H](C)c1ccccc1C(=O)Nc1cccc(-c2nc(-c3ccoc3)no2)c1

BIRTHDAY: 2018-11-19T08:11:28.748058
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C28H48N2O3

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(N)=O)c(O)c1

BIRTHDAY: 2018-11-19T08:11:28.765377
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C27H50O3

SMILES: CCCCCCCCCCCCCCCCCC[C@@H]1O[C@@H](C(=O)O)[C@H]2CCC[C@H]1C2

BIRTHDAY: 2018-11-19T08:11:28.773350
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C35H55NO

SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:11:28.798917
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H37NO2S

SMILES: CC(C)(C)c1ccccc1N1CC[C@]2(C(C)(C)C(C)(C)C)C=CC=C[C@@H]2S1(=O)=O

BIRTHDAY: 2018-11-19T08:11:28.807875
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C29H50N2O3

SMILES: COc1cc(NC(=O)CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)cc(C(N)=O)c1

BIRTHDAY: 2018-11-19T08:11:28.816561
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C21H20F6N2O3

SMILES: O=C(CCCCCNC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-11-19T08:11:28.827353
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C26H47N2O6P

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1ccccc1[C@@](N)(CO)COP(=O)(O)O

BIRTHDAY: 2018-11-19T08:11:28.837594
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H52N2O4S

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

BIRTHDAY: 2018-11-19T08:11:28.847879
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C43H54N4O6

SMILES: COc1ccc(OC)c(OC)c1NC(=O)c1ccc2cc1-c1ccnc(n1)Nc1cccc(c1)[C@](C)(C(C)(C)C(C)(C)C(C)(C)C)OCC=CCCO2

BIRTHDAY: 2018-11-19T08:11:28.871557
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C36H55NO3

SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:11:28.890166
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C25H45N2O5P

SMILES: CC(C)CCCCCCCCCCCCCC(=O)Nc1ccc([C@@H](N)COP(=O)(O)O)cc1

BIRTHDAY: 2018-11-19T08:11:28.899484
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C42H66N4O4

SMILES: CC(=O)N1CC[C@](C)(C(=O)O)CNc2cccc(c2)Nc2cccc(NC(=O)[C@@H](C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)c21

BIRTHDAY: 2018-11-19T08:11:28.921689
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H26F3N3O2

SMILES: COc1cc(C[C@H](C)N)ccc1-c1noc(-c2ccc(C3CCCC3)c(C(F)(F)F)c2)n1

BIRTHDAY: 2018-11-19T08:11:28.931566
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C33H50N2O2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)Nc1c(C(N)=O)cccc1-c1ccccc1

BIRTHDAY: 2018-11-19T08:11:28.942691
ATC: C04A
- CARDIOVASCULAR SYSTEM
- PERIPHERAL VASODILATORS
- PERIPHERAL VASODILATORS
Synthesis Plan
FORMULA:C24H21F3N4O2

SMILES: COc1ccc(C(N)(N)Cc2ccccc2-c2ccccc2-c2nc(C(F)(F)F)no2)cc1

BIRTHDAY: 2018-11-19T08:11:28.963344
ATC: D03A
- DERMATOLOGICALS
- PREPARATIONS FOR TREATMENT OF WOUNDS AND ULCERS
- CICATRIZANTS
Synthesis Plan
FORMULA:C41H59N3O4

SMILES: CCCCCCCCCCCCCCCC[C@@H]1Nc2ccc(C(C)C)c3ccc(cc23)Oc2cc(ccc2C(=O)O)CNCCNC1=O

BIRTHDAY: 2018-11-19T08:11:28.975364
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C38H63N2O6P

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)Nc1ccccc1-c1ccccc1[C@@](N)(CO)COP(=O)(O)O

BIRTHDAY: 2018-11-19T08:11:28.987556
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C20H24N2O2

SMILES: CC(C)(C(=O)Nc1ccccc1)C(C)(C)C(=O)Nc1ccccc1

BIRTHDAY: 2018-11-19T08:11:29.013317
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C29H49N2O4P

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)Cc1cocc1-c1ccccc1C(N)(N)[C@H](C)P(=O)(O)O

BIRTHDAY: 2018-11-19T08:11:29.023397
ATC: L02A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONES AND RELATED AGENTS
Synthesis Plan
FORMULA:C39H56N2O2S

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)c1c2ncnc1-c1cccc(c1)OCCCCOc1cccc(c1)S2

BIRTHDAY: 2018-11-19T08:11:29.035276
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H27N3O5S

SMILES: COc1ccc(CC(C)(C)C(=O)Nc2nnc(-c3ccc(OC)c(OC)c3)s2)cc1OC

BIRTHDAY: 2018-11-19T08:11:29.063035
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C29H24N4O5

SMILES: COc1ccc(C(=O)NCCc2ccc(C(=O)Nc3ccccc3-c3noc(-c4ccco4)n3)cc2)cc1

BIRTHDAY: 2018-11-19T08:11:29.074581
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:C26H47N2O5P

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@@H](C)C(=O)Nc1ccccc1[C@@H](N)COP(=O)(O)O

BIRTHDAY: 2018-11-30T17:22:53.957335
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H23F3N2O3

SMILES: COc1cccc(C(=O)NC(C)(C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1

BIRTHDAY: 2018-11-30T17:22:53.976572
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H30F2N4S

SMILES: CCCCCCCCC[C@]12NC(c3ccccc3F)=NN1N=C(c1ccc(F)cc1)CS2

BIRTHDAY: 2018-11-30T17:22:53.986281
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C28H21FN4O4

SMILES: C[C@@H](NC(=O)c1cccc(F)c1)c1ccccc1C(=O)Nc1cccc(-c2nc(-c3ccoc3)no2)c1

BIRTHDAY: 2018-11-30T17:22:53.997817
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C23H24F3N3O2

SMILES: COc1cccc(C[C@@H](C)N)c1-c1nc(-c2cc(C3CCC3)ccc2C(F)(F)F)no1

BIRTHDAY: 2018-11-30T17:22:54.007731
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C29H49FN6O

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C[C@]12C=CC=C[C@]1(F)N=NN2[C@]1(C)N=NN=C1O

BIRTHDAY: 2018-11-30T17:22:54.045310
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C30H52N2O3

SMILES: COc1cccc(C(N)=O)c1NC(=O)[C@H](C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-30T17:22:54.054274
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:C21H23F3N2O3

SMILES: COc1ccc(C(=O)NCCCCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1

BIRTHDAY: 2018-11-30T17:22:54.083100
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C27H46N2O2

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)Nc1cccc(C(N)=O)c1

BIRTHDAY: 2018-11-30T17:22:54.090693
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C24H21F3N2O2

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-12-02T16:06:02.323597
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C25H45N2O5P

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1ccccc1[C@H](N)COP(=O)(O)O

BIRTHDAY: 2018-12-02T16:06:02.405255
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C20H25ClF2N4

SMILES: CC1(C)CCC[C@@](N)(c2cc(F)cc(F)c2)N([C@H](N)c2cccc(Cl)c2)N1

BIRTHDAY: 2018-12-02T16:06:02.415291
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C28H49N3O2

SMILES: CC(C)CCCCCCCCCCCCCC(=O)Nc1ccc(CNCCCC(N)=O)cc1

BIRTHDAY: 2018-12-02T16:06:02.440545
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C26H45N3O3

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

BIRTHDAY: 2018-12-02T16:06:02.449541
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C35H54N4O2

SMILES: C[C@H](CCCCCCCCCCCCCC(=O)Nc1ccc(CNCCCC2=NNCCO2)cc1)c1ccccc1

BIRTHDAY: 2018-12-02T16:06:02.460355
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C23H27N3O5S

SMILES: COc1cccc(CC(C)(C)C(=O)Nc2nnc(-c3cccc(OC)c3OC)s2)c1OC

BIRTHDAY: 2018-12-02T16:06:02.471068
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C26H24N4O4

SMILES: COc1ccc(C(=O)NCCc2ccc(C(=O)Nc3ccc(-c4noc(C)n4)cc3)cc2)cc1

BIRTHDAY: 2018-12-02T16:06:02.481664
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C29H51N3O3S

SMILES: CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1cccc2c1[C@@](N)(C(C)(C)C)CNS2(=O)=O

BIRTHDAY: 2018-12-03T10:42:24.141109
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C31H54N2O2

SMILES: CC(C)(C)c1cccc(C(N)=O)c1NC(=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-03T10:42:24.151435
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C24H27NO4

SMILES: Cc1cccc(C2=COC(C(C)(C)C(C)(C)C(=O)Nc3ccc(O)cc3)=CO2)c1

BIRTHDAY: 2018-12-03T10:42:24.167909
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C31H53FN2O6S

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N[C@H](CO)C(=O)O

BIRTHDAY: 2018-12-03T10:42:24.195090
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C18H23FN2O2

SMILES: CC(C)C[C@H]1C[C@@]2(C(=O)NO)CC[C@H]1N=C2c1ccc(F)cc1

BIRTHDAY: 2018-12-03T10:42:24.203061
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C37H58N2O3

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2CNCCC(=O)O)cc1

BIRTHDAY: 2018-12-03T10:42:24.212926
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C24H32N4O2

SMILES: CC(C)(C)COc1cccc(CC(C)(C)[C@]23NN=C[C@@]2(c2ccccc2)ONN3)c1

BIRTHDAY: 2018-12-03T10:42:24.232253
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C32H32N4O4

SMILES: COc1ccc(C(=O)NCCCc2ccc3cc2COCC=CCOc2cccc(c2)-c2ccnc(n2)N3)cc1

BIRTHDAY: 2018-12-03T10:42:24.243477
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C17H29N3O

SMILES: CC1=CC2=NCN=C(CCCCCCCC(C)C)N2CO1

BIRTHDAY: 2018-12-03T10:42:24.250281
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C25H20F3N3O3

SMILES: COc1ccccc1C(=O)NCCc1ccc(-c2noc(-c3cccc(C(F)(F)F)c3)n2)cc1

BIRTHDAY: 2018-12-03T10:42:24.270445
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H22F3N3O2

SMILES: COc1cccc(CNCCc2ccc(-c3ccc(-c4noc(C(F)(F)F)n4)cc3)cc2)c1

BIRTHDAY: 2018-12-03T10:42:24.280255
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis Plan
FORMULA:C22H21N3O4

SMILES: Cc1cccc([C@H](C)C(=O)O)c1-c1nc(-c2c(C#N)cccc2OC(C)C)no1

BIRTHDAY: 2018-12-03T10:42:24.289909
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C35H44ClN5

SMILES: CC(C)CCCCCCC[C@@H]1NCc2cc3[nH]c2[C@H]1CCCCNc1nc2c-3cccc2nc1-c1ccc(Cl)cc1

BIRTHDAY: 2018-12-03T10:42:24.300937
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H26N2O3

SMILES: COc1ccccc1CC(C)(C)NC[C@H](O)COc1cccc(C#N)c1

BIRTHDAY: 2018-12-03T19:10:49.666797
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C23H24N6O5S

SMILES: COc1cccc(-c2nnc(NC(=O)C(C)(C)Cc3c(OC)ccc4[nH]c(=O)nnc34)s2)c1OC

BIRTHDAY: 2018-12-03T19:10:49.735929
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C25H38N2O2

SMILES: CCCCCCCCCCCCCCCC1=NN=C(C(=O)O)Cc2ccccc21

BIRTHDAY: 2018-12-03T19:10:49.751588
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C17H18OS2

SMILES: COc1ccccc1[C@@]1(c2ccccc2)CSCCS1

BIRTHDAY: 2018-12-03T19:10:49.758807
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C23H24F3N3O2

SMILES: COc1cccc(C[C@H](C)N)c1-c1nc(-c2cc(C3CCC3)ccc2C(F)(F)F)no1

BIRTHDAY: 2018-12-03T19:10:49.806833
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C32H52N4O2

SMILES: CCCCCCCC1=NC(C(=O)NC[C@H]2CCCCCCCCOCCCc3ccc(cc3)NC2)=CCN1

BIRTHDAY: 2018-12-01T22:29:54.403178
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C29H32N2O2

SMILES: CC1(C)CCC[C@@H](c2cc(-c3ccoc3)[nH]c2-c2ccoc2)CC=c2cc3c([nH]2)=C[C@H](C3)C1

BIRTHDAY: 2018-12-01T22:29:54.421934
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C27H46N2O3

SMILES: CC(C)CCCCCCCCCCCCC(=O)Nc1ccc(CNCCCC(=O)O)cc1

BIRTHDAY: 2018-12-01T22:29:54.430061
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H19N3O2

SMILES: Cc1cc(C)cc(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)c1

BIRTHDAY: 2018-12-01T22:29:54.494757
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C21H13F3N4O2

SMILES: O=C(Nc1cccc(-c2noc(-c3cccnc3)n2)c1)c1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-12-01T22:29:54.523265
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C28H48N2O3

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(N)=O)cc1OC

BIRTHDAY: 2018-12-01T22:29:54.531555
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C38H63N2O5P

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1ccccc1-c1ccccc1[C@@H](N)COP(=O)(O)O

BIRTHDAY: 2018-12-01T22:29:54.543728
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C21H20F6N2O3

SMILES: O=C(CCCCCNC(=O)c1ccccc1OC(F)(F)F)Nc1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-12-01T22:29:54.554609
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan