matter.farm

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

These compounds may interact with:

Inosine-5'-monophosphate dehydrogenase 2

Potentially involved in: carcinoma; bartter disease type 3; acute quadriplegic myopathy; astrocytoma; atypical teratoid / rhabdoid tumor; colon cancer; cutaneous lupus erythematosus; diabetes mellitus; group 3 medulloblastoma; intraductal papillary-mucinous neoplasm (ipmn); lung cancer; medulloblastoma, large-cell; multiple myeloma; oligodendroglioma; ovarian cancer; pancreatic cancer; posterior fossa group a ependymoma; primary pancreatic ductal adenocarcinoma; psoriasis; waldenstrons macroglobulinemia

Disease data sourced from Pharos.

Inhibitor

FORMULA:C17H24BrI

SMILES: CCCCCC1=C(Br)C(C)=C[C@H]2C=C(C)[C@]1(I)CC2

BIRTHDAY: 2018-12-01T14:11:51.564896
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C31H52N2O4

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

BIRTHDAY: 2018-12-01T14:11:51.574008
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C26H23N3O4

SMILES: COc1cccc(-c2cocn2)c1C(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2)c1

BIRTHDAY: 2018-12-01T14:11:51.584161
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H24N2O3Se

SMILES: COc1cccc([C@@H](C)c2cccc(C(=O)N[C@@H](C)[C@@H]3[Se]NCC3=O)c2)c1

BIRTHDAY: 2018-12-01T14:11:51.593028
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C31H44N2O3

SMILES: COc1c(C)cc([C@]2(c3ccc(C)cc3)C(=O)CCCCCCCCN(C)CCNCC2=O)cc1C

BIRTHDAY: 2018-12-01T14:11:51.603303
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C20H24OSe

SMILES: COc1c(C)cc(C)cc1[C@@]1(c2ccc(C)cc2)CCC[Se]1

BIRTHDAY: 2018-12-01T14:11:51.610403
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C31H34FNO4S

SMILES: COc1ccc(C)c([C@@H](c2ccccc2F)c2cc3ccc2NCCCSC(=O)C(=O)COCCC3)c1C

BIRTHDAY: 2018-12-01T14:11:51.622662
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C37H37N3O4

SMILES: COc1ccc(C(=O)Nc2ccc3c(c2)-c2ccc(cc2)O[C@@H](c2ccccc2)CCCCCNCC3)cc1-c1ncco1

BIRTHDAY: 2018-12-01T14:11:51.634549
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C26H53NO3

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

BIRTHDAY: 2018-12-01T14:11:51.641857
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H40O3

SMILES: COc1c(-c2cc(C(C)C)c(C(C)C)cc2C(C)C)cc(C)c(CCCC(=O)O)c1C

BIRTHDAY: 2018-12-01T14:11:51.649810
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C32H54N2O4

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1c(C(N)=O)cccc1C(=O)O

BIRTHDAY: 2018-12-01T14:11:51.661394
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C26H53NO3

SMILES: CC(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: 2018-12-01T14:11:51.668719
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C22H29N3O2S

SMILES: COc1cc([C@@]2(C)SNC(=O)N2[C@@H](N)c2ccccc2)c(C)cc1C(C)(C)C

BIRTHDAY: 2018-12-01T14:11:51.678950
ATC: N06D
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTI-DEMENTIA DRUGS
Synthesis Plan
FORMULA:C31H34N2O2

SMILES: COc1cc(C)c([C@]2(c3ccc(C)cc3)C[C@H]3c4ccc(C#N)cc4CN[C@H](O2)C3(C)C)cc1C

BIRTHDAY: 2018-12-01T14:11:51.700949
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C19H20O3

SMILES: COc1c(C)c(C)c(Cc2ccccc2C)c2c1COC2=O

BIRTHDAY: 2018-12-01T14:11:51.719835
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C24H28O3

SMILES: COc1cc([C@@]2(c3ccc(C)cc3)CO[C@@H]3CC[C@@H]2CC3=O)c(C)cc1C

BIRTHDAY: 2018-12-01T14:11:51.728310
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C19H20O3

SMILES: COc1c(C)c(C)c(Cc2cccc(C)c2)c2c1COC2=O

BIRTHDAY: 2018-12-01T14:11:51.735403
ATC: R02A
- RESPIRATORY SYSTEM
- THROAT PREPARATIONS
- THROAT PREPARATIONS
Synthesis Plan
FORMULA:C25H28O4

SMILES: COc1cc(C)c([C@@]2(c3ccc(C)cc3)CC(=O)CC3(CC3)CC(=O)O2)c(C)c1

BIRTHDAY: 2018-12-25T02:03:53.367571
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C28H40O3

SMILES: COc1cc(-c2ccc(C(C)C)c(C(C)C)c2C(C)C)c(C)c(C(C)(C)C(=O)O)c1C

BIRTHDAY: 2018-12-25T02:03:53.375694
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C27H29NO3

SMILES: COc1c(C)ccc(C)c1[C@]1(c2cccc(C)c2)[C@H]2NC[C@@H]3C=CC=C[C@]31C(=O)CO2

BIRTHDAY: 2018-12-25T02:03:53.386312
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C18H20OSe

SMILES: COc1c(C)cc(C)c(C(=[Se])c2ccc(C)cc2)c1C

BIRTHDAY: 2018-12-25T02:03:53.392847
ATC: H02C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- ANTIADRENAL PREPARATIONS
Synthesis Plan
FORMULA:C26H20F3N3O4

SMILES: COc1cc(-c2cnco2)ccc1C(=O)Nc1ccc(C)cc1C(=O)Nc1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-12-25T02:03:53.404422
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C30H50N2O4

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

BIRTHDAY: 2018-12-25T02:03:53.416132
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C29H54N2O4

SMILES: CCCCCCCCCCCCCCCCCCCCCC[C@@H]1C(=O)NCCN(CC(=O)O)C1=O

BIRTHDAY: 2018-12-25T02:03:53.436971
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C31H32N2O

SMILES: COc1cc(C)c(C)c([C@@]2(c3cccc(C)c3)[C@@H]3CCC[C@@H]4CN2c2c(C#N)cccc2[C@@H]43)c1

BIRTHDAY: 2018-12-25T02:03:53.447497
ATC: P01C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS
Synthesis Plan
FORMULA:C30H50N2O4

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

BIRTHDAY: 2018-12-25T02:03:53.459089
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C20H23N3O3

SMILES: COc1cccc(C(C)(C)[C@H](C)C(=O)O)c1C#Cc1ncc(N)c(C)n1

BIRTHDAY: 2018-12-25T02:03:53.467806
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C24H31NO2

SMILES: COc1c(C)c(C)c(C)c([C@@]2(c3ccc(C)cc3)C[C@H]3CNC[C@H]2O3)c1C

BIRTHDAY: 2018-12-25T02:03:53.477023
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H23N3O

SMILES: COc1ccc([C@@H](c2ccnc(N)n2)c2c(C)cc(C)cc2C)cc1

BIRTHDAY: 2018-12-25T02:03:53.485098
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C30H50N2O4

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

BIRTHDAY: 2018-12-25T02:03:53.494238
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C24H32O5

SMILES: COc1ccc(O)c(O)c1C(C)(C)C(C)(C)[C@H](C)C(=O)O[C@H](C)c1ccccc1

BIRTHDAY: 2018-12-25T02:03:53.502932
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:C14H14O3S2

SMILES: C[C@H]1SC(=O)C(CC(=O)O)=C[C@@H](c2ccccc2)S1

BIRTHDAY: 2018-12-25T02:03:53.517802
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C31H52N2O4

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)Nc1c(C(N)=O)cccc1C(=O)O

BIRTHDAY: 2018-12-25T02:03:53.529269
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C22H26N2O5

SMILES: COc1c([C@]2(c3cccc(C)c3)NO[C@](N)([C@H](C)C(=O)O)C2=O)ccc(C)c1C

BIRTHDAY: 2018-12-03T02:39:59.693233
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H20O3

SMILES: COc1c(C)c2c(c(C)c1Cc1ccc(C)cc1)C(=O)OC2

BIRTHDAY: 2018-12-03T02:39:59.700616
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C49H89N11OS2

SMILES: COc1ccc(C)c(C)c1[C@@]1(c2ccccc2C)CNCC2(CC2)CSSCCNCCNCCN(C(C)(C)C)CCNCC2(CC2)NCCNCCNCCNCCNCCN1

BIRTHDAY: 2018-12-03T02:39:59.719070
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C32H46N2O5S

SMILES: COc1cc(CCCCC[C@H]2CN(C)CC[C@@](C)(c3cc(C)c(C)c4c3OCCSCCO4)NC2=O)ccc1O

BIRTHDAY: 2018-12-03T02:39:59.730158
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C29H32N2O2

SMILES: COc1cc(C)c(C)cc1[C@]1(c2ccc(C)cc2)C[C@@H]2CN(C)[C@@H](C1=O)c1cc(N)ccc12

BIRTHDAY: 2018-12-03T02:39:59.740248
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C18H22N2O

SMILES: COc1ccc(C)c([C@@]2(c3cccc(C)c3)NN2C)c1C

BIRTHDAY: 2018-12-03T02:39:59.747924
ATC: J01G
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- AMINOGLYCOSIDE ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H27NO3

SMILES: COc1c(O)cc(C)c(C)c1[C@]1(c2cccc(C)c2)CCOCNC1

BIRTHDAY: 2018-12-03T02:39:59.756335
ATC: P01C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS
Synthesis Plan
FORMULA:C20H20N2O2S

SMILES: COc1c(C)ccc(C)c1-c1nc(NC(=O)c2ccccc2C)cs1

BIRTHDAY: 2018-12-03T02:39:59.764395
ATC: D06B
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C34H35N5O3

SMILES: COc1cc([C@@]23CN[C@@H]4CN(CC4=O)c4cccc5ccc(cc45)Oc4cccc(c4)CN[C@@H]2N=CN3)cc(C)c1C

BIRTHDAY: 2018-12-03T02:39:59.776752
ATC: C03D
- CARDIOVASCULAR SYSTEM
- DIURETICS
- POTASSIUM-SPARING AGENTS
Synthesis Plan
FORMULA:C21H22F3NO4

SMILES: COc1ccc(CCCC(=O)Nc2ccc(CC(=O)O)c(C(F)(F)F)c2)cc1C

BIRTHDAY: 2018-12-03T02:39:59.785792
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C21H29N3O4

SMILES: CCc1c(C)c(OC)c(C)c([C@H](C)c2nnc(=O)[nH]c2[C@@H](C)C(=O)O)c1CC

BIRTHDAY: 2018-12-03T02:39:59.795241
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C35H60N2O4

SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cc(C2COCCOC2)ccc1C(N)=O

BIRTHDAY: 2018-12-03T02:39:59.805179
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H27N3O5

SMILES: COc1c(C)cc(C)c2c3cc(cc12)OCC(C(=O)O)=CCn1cnc(c1)CC(=O)CNC3

BIRTHDAY: 2018-12-03T02:39:59.815536
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C37H57NO3

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-c1ccc(C(=O)O)cc1

BIRTHDAY: 2018-12-03T02:39:59.825014
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C18H25N3O7

SMILES: COc1ccc(O)c(C(C)(C)C(C)(C)C(=O)O[C@@H](CO)C(=O)NC2N=N2)c1O

BIRTHDAY: 2018-12-03T02:39:59.834785
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C33H36N6O4

SMILES: C[C@H]1CCCc2nc(c[nH]2)CCN[C@](O)(c2ccccc2C(=O)Nc2cccc(C(=O)Nc3ccccc3C(N)=O)c2)C1

BIRTHDAY: 2018-12-03T02:39:59.847902
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C24H24N4O2

SMILES: COc1ccc2[cH-]c(N3[C@@H]4CC[C@@H]3CN(C(=O)c3cccc(C#N)c3)CC4)[nH+]c2c1

BIRTHDAY: 2018-12-03T02:39:59.869456
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C24H22N2O3

SMILES: COc1cc(C)c2c(c1C)COc1cncc(c1)CCc1cc(C#N)ccc1O2

BIRTHDAY: 2018-11-30T03:41:55.840528
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C20H20O4

SMILES: COc1ccc(C)c([C@]2(c3ccccc3C)C(=O)COC2=O)c1C

BIRTHDAY: 2018-11-30T03:41:55.849106
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
FORMULA:C28H30O3

SMILES: COc1cc(C)c(C)c([C@H](c2cccc(C)c2)c2c(C)c(C)c(C)c3c2COC3=O)c1

BIRTHDAY: 2018-11-30T03:41:55.857901
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis plan pending
FORMULA:C18H20OS5

SMILES: COc1cc([C@@]2(c3cccc(C)c3)CSSSSS2)cc(C)c1C

BIRTHDAY: 2018-11-30T03:41:55.885688
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis plan pending
FORMULA:C27H35N5O4

SMILES: COc1c([C@]2(c3cccc(C)c3)NCCNC(=O)C(=O)NCCN[C@@H]3CN[C@@H]2C3=O)ccc(C)c1C

BIRTHDAY: 2018-11-30T03:41:55.910338
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis plan pending
FORMULA:C28H40O

SMILES: COc1c(C)cc(C2(c3ccc(C)cc3)CCCCCCCCCCC2)cc1C

BIRTHDAY: 2018-11-30T03:41:55.925757
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis plan pending
FORMULA:C27H36N2O3

SMILES: COc1ccc(C)c(C)c1[C@@]1(c2ccccc2C)CNCC(=O)CC(=O)CCCCCN1

BIRTHDAY: 2018-11-30T03:41:55.935527
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis plan pending
FORMULA:C30H51N3O4

SMILES: Cc1c(O)cc(C(N)=O)c(NC(=O)CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)c1C(N)=O

BIRTHDAY: 2018-11-30T03:41:55.958807
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis plan pending
FORMULA:C19H23NO2

SMILES: CO/N=C(\c1ccc(C)cc1)c1c(C)cc(C)c(OC)c1C

BIRTHDAY: 2018-11-30T03:41:55.965879
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis plan pending
FORMULA:C21H25N3O3

SMILES: COc1cccc(C(C)(C)C(C)(C)C(=O)O)c1C#Cc1ncc(N)c(C)n1

BIRTHDAY: 2018-11-30T03:41:55.974742
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis plan pending
FORMULA:C21H24N4O

SMILES: COc1ccccc1[C@H](c1cc(C)c(C)c(C)c1)c1ncc(N)c(N)n1

BIRTHDAY: 2018-11-30T03:41:55.983235
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis plan pending
FORMULA:C22H28O

SMILES: COc1c(C)c(C)c(C2(c3ccc(C)cc3)CCC2)c(C)c1C

BIRTHDAY: 2018-11-19T08:19:29.486863
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis plan pending
FORMULA:C28H33FO5

SMILES: COc1c([C@@]2(c3cccc(C)c3)CO[C@@]3(F)C=CC=C[C@H]3OCCOCCO2)ccc(C)c1C

BIRTHDAY: 2018-11-19T08:19:29.498243
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C32H54N2O4

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

BIRTHDAY: 2018-11-19T08:19:29.516481
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis plan pending
FORMULA:C15H22O3

SMILES: COc1c(C)c(C)c(CCCC(=O)O)c(C)c1C

BIRTHDAY: 2018-11-19T08:19:29.522959
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis plan pending
FORMULA:C31H52N2O4

SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cc(C(N)=O)ccc1C(=O)O

BIRTHDAY: 2018-11-19T08:19:29.532012
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis plan pending
FORMULA:C34H31N5O2S2

SMILES: Cc1ccc(C)c([C@]2(C#N)N=CS[S@]23c2cccc(c2)OCCCCOc2cccc(c2)-c2ncnc3c2CC#N)c1C

BIRTHDAY: 2018-11-19T08:19:29.545516
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:C19H22F3N3O2

SMILES: C[C@H](c1ncc(N)nc1-c1c(CC(=O)O)cccc1C(F)(F)F)C(C)(C)C

BIRTHDAY: 2018-11-19T08:19:29.555678
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis plan pending
FORMULA:C22H24O4

SMILES: COc1cc(C)c([C@]2(c3ccc(C)cc3)C[C@@H]3CO[C@@H](O3)C2=O)c(C)c1

BIRTHDAY: 2018-11-19T08:19:29.564660
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis plan pending
FORMULA:C25H32N2O

SMILES: COc1c(C)cccc1[C@@]1(c2cccc(C)c2C)[C@H]2C[C@@H]3C[C@H](C[C@@]1(N)C3)N2

BIRTHDAY: 2018-11-19T08:19:29.573845
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C24H26N2O4

SMILES: COc1cc([C@]2(c3ccc(C)cc3)COC(=O)CN(CC#N)C(=O)C2)c(C)cc1C

BIRTHDAY: 2018-11-19T08:19:29.583736
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C32H55N3O4

SMILES: Cc1c(C(N)=O)cc(C(N)=O)c(NC(=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)c1O

BIRTHDAY: 2018-11-19T08:19:29.593441
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis plan pending
FORMULA:C17H17F3N2O3

SMILES: CCCC1=C[C@@H]2NC(=O)N[C@](Cc3cccc(C(F)(F)F)c3)(O1)C2=O

BIRTHDAY: 2018-11-19T08:19:29.602648
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis plan pending
FORMULA:C27H37N3O4

SMILES: COc1cc(C)c(C)c([C@]2(c3ccccc3C)NNC[C@](N)(C(C)(C)[C@H](C)C(=O)O)CC2=O)c1

BIRTHDAY: 2018-11-19T08:19:29.613179
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:C20H23N3O3

SMILES: COc1cccc(C#Cc2ncc(C)c(N)n2)c1C(C)(C)[C@H](C)C(=O)O

BIRTHDAY: 2018-11-19T08:19:29.621520
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis plan pending
FORMULA:C26H23N3O4

SMILES: COc1cc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)ccc1-c1cnco1

BIRTHDAY: 2018-11-19T08:19:29.642923
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:C24H28O2

SMILES: COc1ccc(C)c(C)c1C1(c2ccccc2C)[C@H]2CC[C@H]1CC(=O)C2

BIRTHDAY: 2018-11-19T08:19:29.651285
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C23H22HgNO2

SMILES: COc1ccc([C@@H]([Hg])c2ccc(C(=O)NCCc3ccccc3)cc2)cc1

BIRTHDAY: 2018-11-19T08:19:29.659074
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis plan pending
FORMULA:C29H49N3O4

SMILES: Cc1c(NC(=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)c(O)cc(C(N)=O)c1C(N)=O

BIRTHDAY: 2018-11-19T08:19:29.668785
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis plan pending
FORMULA:C21H26O2

SMILES: COc1c(C)c(C)c(C2(c3ccc(C)cc3)COC2)c(C)c1C

BIRTHDAY: 2018-11-19T08:19:29.676465
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:C23H30N2O4

SMILES: COc1c(C)c(C)cc(C(C)(C)C(=O)N[C@H](C)c2c(O)cccc2C(N)=O)c1C

BIRTHDAY: 2018-11-19T08:19:29.685290
ATC: G03G
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- GONADOTROPINS AND OTHER OVULATION STIMULANTS
Synthesis plan pending
FORMULA:C34H51NO3

SMILES: CCCCCCCCCCCC[C@@H]1CCCC(=O)N[C@H](Cc2ccc(O)c(O)c2)Cc2cccc(c2)CC1

BIRTHDAY: 2018-11-19T08:19:29.694409
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis plan pending
FORMULA:C24H32O5

SMILES: COc1cc(CCCCCCCCC(=O)OCCc2ccccc2)cc(O)c1O

BIRTHDAY: 2018-11-19T08:19:29.702373
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C21H23N3O

SMILES: COc1cccc([C@@H](c2nccc(N)n2)c2c(C)cc(C)cc2C)c1

BIRTHDAY: 2018-11-19T08:19:29.710453
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
FORMULA:C30H43N3O3

SMILES: COc1c(C)ccc(C)c1[C@]1(c2ccccc2C)CNCCC(=O)[C@H](N)C(=O)CCCCCCCN1

BIRTHDAY: 2018-11-19T08:19:29.721095
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis plan pending
FORMULA:C18H20N4O

SMILES: COc1c(C)cc(C)c(C2(c3ccc(C)cc3)N=NN=N2)c1C

BIRTHDAY: 2018-11-19T08:19:29.729509
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis plan pending
FORMULA:C20H24N2O3

SMILES: COc1cc(C)c([C@@]2(c3ccc(C)cc3C)NC(=O)N(C)O2)c(C)c1

BIRTHDAY: 2018-11-19T08:19:29.738003
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis plan pending
FORMULA:C24H28N4O3

SMILES: COc1ccc(C#Cc2cc(NCC(C)C)nc(C#N)n2)cc1CCCCCC(=O)O

BIRTHDAY: 2018-11-19T08:19:29.748234
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:C27H54O2

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

BIRTHDAY: 2018-11-19T08:19:29.767223
ATC: P03A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis plan pending
FORMULA:C29H35N3O2

SMILES: COc1cc(C)c(C)c([C@@]2(c3ccccc3C)CCC(=O)[C@@](N)([C@@H](C)c3ccccc3)NN2)c1

BIRTHDAY: 2018-11-19T08:19:29.778589
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:C26H28FNO3

SMILES: COc1cc(C)c(C)c([C@]2(c3cccc(C)c3)[C@@H]3NCOC[C@]4(C=CC=C[C@@]42F)O3)c1

BIRTHDAY: 2018-11-19T08:19:29.788952
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis plan pending
FORMULA:C29H31N3O3

SMILES: COc1cc(C)c([C@@]2(c3ccc(C)cc3)[C@H]3CN4CN2CN(C3)c2cc(C(=O)O)ccc24)c(C)c1

BIRTHDAY: 2018-11-19T08:19:29.799357
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis plan pending
FORMULA:C23H30O

SMILES: COc1c(C)cc(C)cc1C1(c2ccc(C)cc2)CCCCCC1

BIRTHDAY: 2018-11-19T08:19:29.806166
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis plan pending
FORMULA:C20H23N3O3

SMILES: COc1cccc(C(C)(C)[C@@H](C)C(=O)O)c1C#Cc1ncc(N)c(C)n1

BIRTHDAY: 2018-11-19T08:19:29.821619
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis plan pending
FORMULA:C24H28O3

SMILES: COc1c(C)cc([C@@]2(c3ccc(C)cc3)C[C@H]3COC(=O)[C@@H](C3)C2)cc1C

BIRTHDAY: 2018-11-19T08:19:29.829836
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis plan pending
FORMULA:C29H37N3O

SMILES: COc1ccc(C)c([C@@]2(c3cccc(C)c3)NCCN[C@@]2(N)c2cc(C)c(C)c(C)c2)c1C

BIRTHDAY: 2018-11-19T08:19:29.840726
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
FORMULA:C9H14N2O4

SMILES: O=C(O)CCC1=CN[C@H]2C[C@@H](O)[C@H](N1)O2

BIRTHDAY: 2018-11-19T08:19:29.847904
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C22H14F6O3

SMILES: O=C(O)c1ccccc1-c1cccc(OC(F)(F)F)c1Cc1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-11-19T08:19:29.857832
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
FORMULA:C24H25O4P

SMILES: COc1cc(C)c(C)c([C@@]2(c3cccc(C)c3)OPO[C@@H]3C=CC=C[C@@H]3C2=O)c1

BIRTHDAY: 2018-11-19T08:19:29.867098
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis plan pending
FORMULA:C26H23N3O4

SMILES: COc1ccc(-c2cnco2)cc1C(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1

BIRTHDAY: 2018-11-19T08:19:29.877169
ATC: N07X
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- OTHER NERVOUS SYSTEM DRUGS
Synthesis plan pending
FORMULA:C55H84N6O5

SMILES: C[C@@H](C(=O)N1c2nccc(n2)-c2ccnc(c2)OCCC=CCOCc2cccc1c2[C@H](C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)C1(C)C2CNCC1CNC2

BIRTHDAY: 2018-11-19T08:19:29.911143
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis plan pending
FORMULA:C36H62N2O7

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1ccc(C(N)=O)c2c1OCCOCCOCCOCCO2

BIRTHDAY: 2018-11-19T08:19:29.924404
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C28H30O3

SMILES: COc1cc(C)c(C)c([C@@H](c2cccc(C)c2)c2c(C)c(C)c(C)c3c2COC3=O)c1

BIRTHDAY: 2018-11-19T08:19:29.936267
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis plan pending
FORMULA:C29H34N4O3

SMILES: COc1cc(C)c(C)cc1[C@]1(c2ccc(C)cc2)OC[C@H]2CN(C(=O)NCc3ccccn3)C[C@@H]1N2

BIRTHDAY: 2018-11-19T08:19:29.951113
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C31H37NO2

SMILES: COc1c(C)cc([C@]2(c3ccc(C)cc3)CCN(C)CCCCc3ccccc3C2=O)cc1C

BIRTHDAY: 2018-11-19T08:19:29.964613
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis plan pending
FORMULA:C33H41N3O2

SMILES: COc1cc(C)c([C@]2(c3ccc(C)cc3)CCNCCCCCCOCNc3c(C#N)cccc32)cc1C

BIRTHDAY: 2018-11-19T08:19:29.975714
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C27H34N2O2

SMILES: COc1c(C)c(C)c(C)c([C@@]2(c3ccc(C)cc3)C[C@H]3N[C@H]2[C@@H]2C(=O)C[C@@H]3N2C)c1C

BIRTHDAY: 2018-11-19T08:19:29.985780
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis plan pending
FORMULA:C30H35N4O7Sb

SMILES: COc1cc(C)cc([C@@]2(c3cccc(C)c3)O[Sb]3OC(=O)[C@@]2(N2CCOCCCCOc4cncc(n4)NC2)O3)c1C

BIRTHDAY: 2018-11-19T08:19:30.001034
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis plan pending
FORMULA:C18H26O3

SMILES: COc1c(C)c(C)c(C)c(/C(C)=C(/C)[C@@H](C)C(=O)O)c1C

BIRTHDAY: 2018-11-19T08:19:30.008049
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis plan pending
FORMULA:C29H30N2O6

SMILES: COc1cc(O)c(O)c(C(C)(C)[C@@H](C)C(=O)O[C@@H](C)c2ccccc2C(=O)Nc2ccccc2C#N)c1

BIRTHDAY: 2018-11-19T08:19:30.018461
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C29H30O2S

SMILES: COc1c([C@@]2(c3cccc(C)c3)COC34C=CC=CC3(C=CC=C4)SC2)ccc(C)c1C

BIRTHDAY: 2018-11-19T08:19:30.027668
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C22H23NO4

SMILES: COc1c(C(=O)O)c(C)cc(-c2cocn2)c1-c1ccccc1C(C)(C)C

BIRTHDAY: 2018-11-19T08:19:30.036943
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C24H49NO3

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

BIRTHDAY: 2018-11-19T08:19:30.044078
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis plan pending
FORMULA:C27H34N2O2

SMILES: COc1cc(C)c([C@]2(c3ccc(C)cc3)C[C@@H]3[C@H]4CCCCN3C(=O)[C@@H]2[C@@H]4N)c(C)c1

BIRTHDAY: 2018-11-19T08:19:30.053339
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis plan pending
FORMULA:C37H58N2O2

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-c1cccc(C(N)=O)c1

BIRTHDAY: 2018-11-19T08:19:30.073805
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis plan pending
FORMULA:C27H55NO3

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

BIRTHDAY: 2018-11-19T08:19:30.081275
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis plan pending
FORMULA:C30H30N2O

SMILES: COc1cc(C)c([C@]2(c3ccc(C)cc3)C[C@@H]3CN4C[C@@H]2[C@H]3c2cc(C#N)ccc24)cc1C

BIRTHDAY: 2018-11-19T08:19:30.101770
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis plan pending
FORMULA:C24H28N2O5

SMILES: COc1c(C)ccc(C)c1[C@]1(c2ccccc2C)[CH+][N-]O[C@]1(C)C(=O)N[C@H](C)C(=O)O

BIRTHDAY: 2018-11-19T08:19:30.112623
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:C31H55N3O

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

BIRTHDAY: 2018-11-19T08:19:30.120736
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C42H69N5O4

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)Nc1c(C(N)=O)cccc1[C@]1(C(=O)O)NCN=C1C12CCCC(CCC1)N2

BIRTHDAY: 2018-11-19T08:19:30.135234
ATC: C09X
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- OTHER AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
Synthesis plan pending
FORMULA:C37H57NO3

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

BIRTHDAY: 2018-11-19T08:19:30.144734
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C20H17N3O4

SMILES: COc1ccc2c(=O)[nH]c(=O)n([C@@H](C)c3ccccc3)c2c1-c1cocn1

BIRTHDAY: 2018-11-19T08:19:30.154440
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C38H74N6O3

SMILES: CCCCCCCCCCCCCCCCCCCCCCC1=NC(=O)CCCNCCNCCCCN[C@@H]2CN[C@H](C(=O)N1)[C@H]2O

BIRTHDAY: 2018-11-19T08:19:30.166202
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis plan pending
FORMULA:C40H65N3O3

SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H]1C(=O)C=CC=CN1C)[C@]12C[C@@H]1N1CC=C[C@@]2(O)[C@@H]2C[C@@H]21

BIRTHDAY: 2018-11-19T08:19:30.183464
ATC: C01A
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC GLYCOSIDES
Synthesis plan pending
FORMULA:C21H25N3O3

SMILES: COc1ccc(CCCCCCC(=O)O)cc1C#Cc1cnc(N)nc1C

BIRTHDAY: 2018-11-19T08:19:30.203366
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis plan pending
FORMULA:C19H20O3

SMILES: COc1c(C)c(Cc2ccc(C)cc2)c(C)c2c1COC2=O

BIRTHDAY: 2018-11-19T08:19:30.210386
ATC: R02A
- RESPIRATORY SYSTEM
- THROAT PREPARATIONS
- THROAT PREPARATIONS
Synthesis plan pending
FORMULA:C26H30N2O

SMILES: COc1ccc([C@]2(c3ccc(C)cc3)[C@@H](C#N)C[C@H]3C[C@H]4CCN3C[C@H]42)cc1C

BIRTHDAY: 2018-11-19T08:19:30.219726
ATC: C02C
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis plan pending
FORMULA:C36H35F3N2O2

SMILES: COc1ccc([C@]2(c3cccc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)CN3[C@H]4CC[C@@H]3C3=CCCC=C[C@]32C4)cc1

BIRTHDAY: 2018-11-19T08:19:30.231680
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C31H33N3O4

SMILES: COc1cc(C2(c3ccc(-c4ncccn4)cc3)[C@@H]3CCC[C@@H]2C3/C=C\C(=O)NCC(=O)O)c(C)cc1C

BIRTHDAY: 2018-11-19T08:19:30.242758
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C25H34N2O3

SMILES: CCc1cccc(C(N)=O)c1[C@@H](C)NC(=O)C(C)(C)c1cc(C)c(C)c(OC)c1C

BIRTHDAY: 2018-11-30T17:24:16.173107
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C26H27NO4

SMILES: COc1ccc(CCCCCC(=O)Nc2ccc(-c3ccccc3)c(C(=O)O)c2)cc1

BIRTHDAY: 2018-11-30T17:24:16.190648
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C24H28O5

SMILES: COc1ccc(OC)c([C@@]2(c3ccccc3C)CO[C@@H]3CC[C@H]2CC3=O)c1OC

BIRTHDAY: 2018-11-30T17:24:16.207077
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C20H22O4

SMILES: COc1c(O)cc(-c2ccccc2C(=O)O)c2c1CCCCCC2

BIRTHDAY: 2018-11-30T17:24:16.245135
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C31H37NO5

SMILES: COc1cccc([C@@]2(C(=O)Nc3c(OC)ccc(OC)c3OC)C=CC=CCCC=CCCC=CC2)c1

BIRTHDAY: 2018-11-30T17:24:16.264362
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C28H55N3O

SMILES: CC1(C)N=C(CO)C(C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)=NN1

BIRTHDAY: 2018-11-30T17:24:16.272093
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C32H54N2O4

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

BIRTHDAY: 2018-11-30T17:24:16.281282
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C30H54BNO3

SMILES: C[C@@H](B(O)O)c1ccccc1NC(=O)[C@H](C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-30T17:24:16.290313
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C23H36O3

SMILES: COc1c(C(C)(C)C)cc(C(C)(C)C)c(C)c1C/C=C(\C)CCC(=O)O

BIRTHDAY: 2018-11-30T17:24:16.297510
ATC: J02A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOTICS FOR SYSTEMIC USE
- ANTIMYCOTICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C23H28N4O2S

SMILES: COc1cc([C@@]2(c3ccc(C)cc3)CN=NN([C@]3(C)CNCS3)C2=O)c(C)cc1C

BIRTHDAY: 2018-11-30T17:24:16.307198
ATC: P02B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTITREMATODALS
Synthesis Plan
FORMULA:C17H19NO4

SMILES: COC1=CC[C@@]2(C=C1)N=C(C)C1=C2C(CC(=O)O)=C[C@H]1OC

BIRTHDAY: 2018-11-30T17:24:16.315137
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C39H40N6O2

SMILES: COc1cc([C@@H](c2ccc(C)cc2)c2ccc3c4nn(c(=O)c3c2)Cc2cccc(c2)CNCNCCn2cc-4cn2)c(C)cc1C

BIRTHDAY: 2018-11-30T17:24:16.328062
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H28NO4P

SMILES: COc1cc2c(cc1C)[C@H]1C[C@H]3[C@@H](c4ccccc4[C@H]4CC=COPO4)CO[C@H](C1)N23

BIRTHDAY: 2018-11-30T17:24:16.337798
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C32H54N2O3

SMILES: C[C@H](O)O/N=C(/N)c1cccc(O)c1C#C[C@H](C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-30T17:24:16.347307
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C22H25N4O4P

SMILES: COc1c(C)ccc(C)c1[C@@]1(c2cccc(C)c2)COPO[C@H]1[n+]1c[n-]c(=O)c(N)n1

BIRTHDAY: 2018-12-02T16:07:25.410948
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C28H30O3

SMILES: COc1ccc(C)c(C)c1[C@@H](c1ccccc1C)c1c(C)c(C)c(C)c2c1COC2=O

BIRTHDAY: 2018-12-02T16:07:25.420770
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C24H28N4O6

SMILES: COc1ccccc1C1(c2ccccc2C(=O)NC(C)(C)C(C)(C)C(=O)O)NC(=O)NC(=O)N1

BIRTHDAY: 2018-12-02T16:07:25.461841
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C31H53N3O4

SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(/C(N)=N\OCC(=O)O)cc1

BIRTHDAY: 2018-12-02T16:07:25.471690
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C25H28N4O

SMILES: COc1cc(C)c([C@@]2(c3ccc(-c4cncnc4)cc3)N[C@@H]3CNC[C@H]2C3)c(C)c1

BIRTHDAY: 2018-12-02T16:07:25.481940
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C23H29NO

SMILES: COc1cccc(C)c1[C@]1(c2cccc(C)c2C)CC2CCN1CC2

BIRTHDAY: 2018-12-02T16:07:25.490172
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C27H27NO5

SMILES: COc1cccc(C(=O)c2ccccc2)c1C(C)(C)CC(=O)Nc1ccccc1CC(=O)O

BIRTHDAY: 2018-12-02T16:07:25.499721
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C34H52N4O3S2

SMILES: COc1c(C)cc([C@]2(c3ccc(C)cc3)CNC(=O)CNC[C@H]3CCOCCSSCCCCC[C@@H](CN3C)N2)cc1C

BIRTHDAY: 2018-12-02T16:07:25.513213
ATC: C02C
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:C38H52O12

SMILES: COc1c(C)cc([C@@]2(c3ccc(C)cc3)COCCOCCOCCOCCOCCOCCOCCOc3cc(O)c(O)cc3O2)cc1C

BIRTHDAY: 2018-12-02T16:07:25.530327
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:C23H26N4O3

SMILES: COc1ccc(C#Cc2cc(NCC(C)C)nc(C#N)n2)cc1CCCCC(=O)O

BIRTHDAY: 2018-12-02T16:07:25.558547
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C26H23N3O4

SMILES: COc1ccc(-c2cocn2)c(C(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)c1

BIRTHDAY: 2018-12-02T16:07:25.568557
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H27NOS

SMILES: COc1cc([C@]2(c3ccc(C)cc3)S[C@@]34C=CC=C[C@@H]3[C@H]2NC4)c(C)cc1C

BIRTHDAY: 2018-12-02T16:07:25.586195
ATC: R05C
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis Plan
FORMULA:C26H23N3O4

SMILES: COc1cccc(-c2cocn2)c1C(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1

BIRTHDAY: 2018-12-02T16:07:25.596240
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H51NO3

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

BIRTHDAY: 2018-12-03T10:43:46.268754
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C29H38O5

SMILES: CCCCCCCCC[C@]1(CCCC(=O)O)O[C@@H]2C[C@H]3C4=CC(=O)C(=O)[C@H]5C=CC=C[C@]45[C@H]2[C@@H]31

BIRTHDAY: 2018-12-03T10:43:46.278453
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C27H27N5O3

SMILES: COc1c2cc(cc1Nc1ccccc1)Nc1nccc(n1)-c1ccc(o1)COCC=CCNC2

BIRTHDAY: 2018-12-03T10:43:46.289248
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C30H31N5O5

SMILES: COc1cccc(C(=O)Nc2ccc(C(=O)Nc3c(O)cccc3[C@H]3CCNCNC3)cc2C)c1-c1cocn1

BIRTHDAY: 2018-12-03T10:43:46.301299
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C28H28FN3O3

SMILES: COc1ccccc1[C@]1(c2c(C)ccc(C)c2C)NN[C@]2(O1)[C@H]1C=CC=C(F)[C@@]13N=C[C@H]2CC3=O

BIRTHDAY: 2018-12-03T10:43:46.313001
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C33H56N2O4

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

BIRTHDAY: 2018-12-03T10:43:46.355930
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C23H30N2O4

SMILES: COc1c(C)c(C)cc(C(C)(C)C(=O)N[C@@H](CO)c2ccccc2C(N)=O)c1C

BIRTHDAY: 2018-12-03T10:43:46.375032
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C32H45N3O2S

SMILES: COc1cc([C@]2(c3ccccc3C)N[C@@H]3C[C@@H]3N([C@@H](C)C(=O)N[C@H](C)C(C)(C)C)SC23CC3)c(C)cc1C

BIRTHDAY: 2018-12-03T10:43:46.385858
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C26H20F3N3O4

SMILES: COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2C)c1-c1cocn1

BIRTHDAY: 2018-12-03T10:43:46.397300
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H27NO3

SMILES: COc1ccc([C@]2(c3cccc(C)c3)C(=O)C(=O)N2Cc2ccccc2C)c(C)c1C

BIRTHDAY: 2018-12-03T10:43:46.406527
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C22H28N2O2

SMILES: COc1c(C)cc(C)c([C@@]2(c3ccc(C)cc3)C(=O)NNC2(C)C)c1C

BIRTHDAY: 2018-12-03T10:43:46.415530
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C24H30O5

SMILES: COc1cc(C)c(C)c([C@]2(c3ccccc3C)COCO[C@@]2(C)[C@@H](C)C(=O)O)c1

BIRTHDAY: 2018-12-03T10:43:46.425106
ATC: C02B
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, GANGLION-BLOCKING
Synthesis Plan
FORMULA:C21H30N2O7

SMILES: COc1c(O)cc(C(N)=O)c(C#N)c1C(C)(C)C(C)(C)[C@H](C)C(=O)OC(CO)CO

BIRTHDAY: 2018-12-03T19:12:11.348241
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C22H28N2O2

SMILES: COc1cc(C)c(C)c([C@]2(c3ccccc3C)NNC(C)(C)C2=O)c1C

BIRTHDAY: 2018-12-03T19:12:11.357327
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C23H30N2O4

SMILES: COc1cc(C(C)(C)C(=O)N[C@H](CO)c2ccc(C(N)=O)cc2)c(C)c(C)c1C

BIRTHDAY: 2018-12-03T19:12:11.366233
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C26H20F3N3O4

SMILES: COc1cccc(-c2cocn2)c1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1C

BIRTHDAY: 2018-12-03T19:12:11.377816
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C31H53N3O4

SMILES: Cc1c(O)cc(C(N)=O)c(NC(=O)[C@@H](C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)c1C(N)=O

BIRTHDAY: 2018-12-03T19:12:11.390219
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis Plan
FORMULA:C38H67N5O6

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)N[C@@]1(CC(=O)O)COc2cncc(n2)NCNCCOCCC1=O

BIRTHDAY: 2018-12-03T19:12:11.403452
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C14H26N2O3S

SMILES: CCCCCCCCCC[C@]1(O)SN=C(CO)NC1=O

BIRTHDAY: 2018-12-03T19:12:11.410669
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C17H24N2O3

SMILES: CCCCC1=C(c2cc(C(N)=O)c(O)cc2O)N[C@@H]1CCC

BIRTHDAY: 2018-12-03T19:12:11.439829
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C38H60N2O2

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

BIRTHDAY: 2018-12-03T19:12:11.458046
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C36H59NO4

SMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CO[C@@H]1C(=O)O)C2

BIRTHDAY: 2018-12-03T19:12:11.467974
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C20H21F3O3

SMILES: COc1c(C)c(C)cc(C(C)(C)C(=O)O)c1-c1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-12-03T19:12:11.476496
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C20H22O3

SMILES: COc1c(C)c(C)c(Cc2cc(C)cc(C)c2)c2c1COC2=O

BIRTHDAY: 2018-12-03T19:12:11.500952
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C30H34N2O6

SMILES: COc1c(C)ccc(C)c1[C@]1(c2ccccc2C)[C@H]2CC(=O)[C@@H]3C(=O)[C@](N)(N4CCOCC4)C(=O)[C@@H](O2)[C@H]31

BIRTHDAY: 2018-12-03T19:12:11.523783
ATC: G02C
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- OTHER GYNECOLOGICALS
Synthesis Plan
FORMULA:C21H24N4O

SMILES: COc1ccc([C@H](c2cc(N)nc(N)n2)c2c(C)cc(C)cc2C)cc1

BIRTHDAY: 2018-12-03T19:12:11.532637
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C26H23N3O4

SMILES: COc1cccc(-c2cocn2)c1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1

BIRTHDAY: 2018-12-01T22:31:17.488592
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H21N3O3

SMILES: COc1ccc(CCCCC(=O)O)cc1C#Cc1cnc(N)nc1C

BIRTHDAY: 2018-12-01T22:31:17.496703
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C22H23NO4

SMILES: COc1cc(C(=O)O)c(C)c(-c2cocn2)c1-c1ccccc1C(C)(C)C

BIRTHDAY: 2018-12-01T22:31:17.506033
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C27H33N5O5

SMILES: COc1c(C)ccc(C)c1[C@]1(c2ccccc2C)NCCNC(=O)C(=O)NC(=O)C(=O)N[C@@H]2CN[C@@H]1C2

BIRTHDAY: 2018-12-01T22:31:17.554039
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C28H40O

SMILES: COc1ccc(C2(c3ccc(C)c(C)c3)CCCCCCCCCCC2)cc1C

BIRTHDAY: 2018-12-01T22:31:17.573805
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C30H58N4O

SMILES: C[C@H](C(=O)N[C@@]12CC[C@@H](N1)[C@H]1CC[C@@]2(N)N1)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-01T22:31:17.583060
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C32H38N2O2

SMILES: COc1cc([C@]2(c3ccc(C)cc3)[C@@H]3C[C@@H](CN3)N2C(=O)c2c(C)cc(C)c(C)c2C)c(C)cc1C

BIRTHDAY: 2018-12-01T22:31:17.593694
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C26H36O

SMILES: COc1c(C)cc(C2(c3ccc(C)cc3)CCCCCCCCC2)cc1C

BIRTHDAY: 2018-12-01T22:31:17.601732
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan