matter.farm

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

These compounds may interact with:

Heat shock protein HSP 90-beta

Potentially involved in: carcinoma; cancer; hiv infections; prostatic neoplasms; acute quadriplegic myopathy; adult high grade glioma; breast cancer; ependymoma; gastric cancer; interstitial cystitis; interstitial lung disease; intraductal papillary-mucinous neoplasm (ipmn); invasive ductal carcinoma; lung adenocarcinoma; lung cancer; medulloblastoma, large-cell; multiple myeloma; non-small cell lung cancer; oligodendroglioma; osteosarcoma

Disease data sourced from Pharos.

Agonist

FORMULA:C24H49NO

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

BIRTHDAY: 2018-12-01T14:11:01.769891
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C23H47NO

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

BIRTHDAY: 2018-12-01T14:11:01.776709
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C24H35N5O3

SMILES: COc1ccc(CNc2nc(C)ncc2C(=O)NCCCN2CCOCC2)cc1C(C)C

BIRTHDAY: 2018-12-01T14:11:01.786517
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C34H63NO2

SMILES: CCCCCCCCCCCCCCCCCC[C@@H]1CCCC[C@H]2[C@@H]3CC[C@H](O3)[C@@]2(C(N)=O)CCCC1

BIRTHDAY: 2018-12-01T14:11:01.795048
ATC: J01G
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- AMINOGLYCOSIDE ANTIBACTERIALS
Synthesis Plan
FORMULA:C18H16N2O3

SMILES: COc1ccc(C(=O)c2ccc([C@]3(N)C=NC=CO3)cc2)cc1

BIRTHDAY: 2018-12-01T14:11:01.802845
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C21H26N2O4S

SMILES: CNC(=O)c1c(C(C)C)noc1C#CC(C)(C)Sc1cc(OC)ccc1OC

BIRTHDAY: 2018-12-01T14:11:01.811507
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H47NO3

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

BIRTHDAY: 2018-12-01T14:11:01.818428
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C27H46N2O3

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

BIRTHDAY: 2018-12-01T14:11:01.826743
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C23H31N7O5

SMILES: COc1ccc(OC)c(OC)c1CNc1cnc(C(=O)NC(C)(C)[C@@]2(N)CNCCO2)nc1C#N

BIRTHDAY: 2018-12-01T14:11:01.838083
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C25H51NO2

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

BIRTHDAY: 2018-12-01T14:11:01.844996
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H43N3O2

SMILES: CC(C)CCCCCCCCCCCCCCC(=O)Nc1cc(C(N)=O)ccc1N

BIRTHDAY: 2018-12-01T14:11:01.852911
ATC: G02C
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- OTHER GYNECOLOGICALS
Synthesis Plan
FORMULA:C19H15F3N4O2

SMILES: COc1ccccc1C(=O)c1nc(N)nc(N)c1-c1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-12-01T14:11:01.862860
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C23H27N3O5

SMILES: COc1ccc(CNC(=O)c2cc(-c3cc(C(C)(C)C)c(O)cc3O)n[nH]2)cc1OC

BIRTHDAY: 2018-12-01T14:11:01.872339
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C24H21F6N3O

SMILES: CC(C)Cc1ccc(C(=O)c2cccc(CNc3ncc(C(F)(F)F)c(C(F)(F)F)n3)c2)cc1

BIRTHDAY: 2018-12-01T14:11:01.883627
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C26H44O3

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)c1cccc(O)c1O

BIRTHDAY: 2018-12-01T14:11:01.890920
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C17H18O6

SMILES: COc1c(O)cccc1C(=O)c1c(O)c(O)cc(O)c1C(C)C

BIRTHDAY: 2018-12-01T14:11:01.899116
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C23H20F3N5O3

SMILES: COc1ccccc1C(=O)c1ccccc1CNc1nc(C(F)(F)F)nc2ncn([C@H](C)O)c12

BIRTHDAY: 2018-12-25T02:03:05.204838
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C26H28N6O6S

SMILES: CNC(=O)c1cnoc1C#CC(C)(C)Sc1ccc(OC)c2c1COc1cncc(n1)NCNCC(=O)OC2

BIRTHDAY: 2018-12-25T02:03:05.217562
ATC: S01X
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OTHER OPHTHALMOLOGICALS
Synthesis Plan
FORMULA:C21H27F3N6O3

SMILES: COc1ccc(CNc2cc(C(=O)NCCCN3CCOCC3)nc(N)n2)cc1C(F)(F)F

BIRTHDAY: 2018-12-25T02:03:05.228861
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C24H49NO3

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

BIRTHDAY: 2018-12-25T02:03:05.236032
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H25N5O5

SMILES: COc1ccc([C@H](N)N2C(c3cccc(O)c3O)=CN[C@]23NCCC(=O)[C@H](O)N3)cc1

BIRTHDAY: 2018-12-25T02:03:05.248370
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C22H44O

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

BIRTHDAY: 2018-12-25T02:03:05.254440
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C21H18F9NO2

SMILES: CN(C)C(C)(C)Oc1cc(C(=O)c2cccc(C(F)(F)F)c2C(F)(F)F)cc(C(F)(F)F)c1

BIRTHDAY: 2018-12-25T02:03:05.266252
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H35NO5

SMILES: CC(C)c1cc(C(=O)c2ccc(C(=O)NCCC(C)(C)CC(=O)O)cc2)c(O)c(C(C)C)c1

BIRTHDAY: 2018-12-25T02:03:05.281819
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis Plan
FORMULA:C27H46O3

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)c1ccc(O)c(O)c1

BIRTHDAY: 2018-12-25T02:03:05.289131
ATC: A02A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- ANTACIDS
Synthesis Plan
FORMULA:C19H15F3N4O2

SMILES: COc1ccc(C(=O)c2nc(N)c(-c3cccc(C(F)(F)F)c3)c(N)n2)cc1

BIRTHDAY: 2018-12-25T02:03:05.298729
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C22H29NO5

SMILES: COc1cc(O)cc(CNC(=O)c2c(O)cc(O)c(C(C)(C)C)c2C(C)C)c1

BIRTHDAY: 2018-12-25T02:03:05.307384
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C32H40N4O2

SMILES: CCCCNC(=O)c1noc(-c2ccc(CNCC(C)C)cc2)c1-c1ccc(C2=CN3CCC2CC3)cc1

BIRTHDAY: 2018-12-25T02:03:05.317847
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C24H21F6N3O

SMILES: CC(C)Cc1ccc(C(=O)c2ccc(CNc3nccc(C(F)(F)F)n3)cc2)cc1C(F)(F)F

BIRTHDAY: 2018-12-25T02:03:05.328566
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C18H24N4O3

SMILES: C[C@@H]1OCOCC=C1C(C)(C)Nc1nc(C(N)=O)nc2c1C=CCC2

BIRTHDAY: 2018-12-25T02:03:05.337508
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H47NO

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

BIRTHDAY: 2018-12-25T02:03:05.344282
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C21H24N6O3

SMILES: CNC(=O)c1cc(-c2ccccc2CNC(=O)c2nc(C(C)(C)C)cnc2N)on1

BIRTHDAY: 2018-12-25T02:03:05.354261
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C26H53NO2

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

BIRTHDAY: 2018-12-25T02:03:05.361376
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H54N4O5

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(N)=O

BIRTHDAY: 2018-12-03T02:39:08.707647
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
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: 2018-12-03T02:39:08.714922
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C28H54N4O5

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

BIRTHDAY: 2018-12-03T02:39:08.725333
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C24H38N2O3

SMILES: CCC(C)(C)CNC(=O)c1ccccc1[C@@]1(NC(C)=O)CCCCCCCOC1

BIRTHDAY: 2018-12-03T02:39:08.735035
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C18H19N3O3S

SMILES: CSc1nnc(-c2c(C(C)C)ccc(O)c2O)n1-c1ccccc1O

BIRTHDAY: 2018-12-03T02:39:08.744880
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C20H25NO6

SMILES: CCCCNC(=O)c1cc(C(C)C)c(O)c(-c2cc(O)c(O)c(O)c2)c1O

BIRTHDAY: 2018-12-03T02:39:08.753553
ATC: V09G
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- CARDIOVASCULAR SYSTEM
Synthesis Plan
FORMULA:C32H28N4O4

SMILES: COc1cccc(C(=O)c2cc(O)cc3cc4cc(c23)CN2CC=CC(=N2)c2cccc(c2)C(=O)NCNC4)c1

BIRTHDAY: 2018-12-03T02:39:08.765194
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C23H30N6O5

SMILES: COc1cc(CNc2nc(C#N)ncc2C(=O)NCCCN2CCOCC2)cc(OC)c1OC

BIRTHDAY: 2018-12-03T02:39:08.776347
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C29H39BN2O2

SMILES: CCCCCCCCCC[C@@H]1OB[C@H]2[C@@H]3CN[C@]12CN3c1cccc(C(=O)c2ccccc2)c1

BIRTHDAY: 2018-12-03T02:39:08.785631
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C19H15F3N4O2

SMILES: COc1ccccc1C(=O)c1c(N)nc(N)nc1-c1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-12-03T02:39:08.795726
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C30H34N2O4

SMILES: COc1ccc(C(=O)Nc2ccc(C(=O)Nc3c(C(C)=O)cc(C(C)(C)C)cc3C(C)C)cc2)cc1

BIRTHDAY: 2018-12-03T02:39:08.807433
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C22H31N3O4S

SMILES: CO[C@]12C=CC=C[C@@H]1N(CCN1CCOCC1)S(=O)(=O)N2c1ccc(C(C)C)cc1

BIRTHDAY: 2018-12-03T02:39:08.817175
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H15F3N4O2

SMILES: COc1ccc(C(=O)c2nc(N)c(-c3ccccc3C(F)(F)F)c(N)n2)cc1

BIRTHDAY: 2018-12-03T02:39:08.833931
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C28H48N2O3

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

BIRTHDAY: 2018-12-03T02:39:08.842178
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C26H47NO

SMILES: CCCCCCCCCCCCCCCC[C@@H]1C(=O)N[C@@H]2C=C[C@]1(C(C)C)C2

BIRTHDAY: 2018-12-03T02:39:08.849655
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:C23H19F2N3S

SMILES: Cc1[nH]nc2c1N(c1ccc(-c3ccc(F)cc3)cc1)S[C@@]1(C)C(F)=CC=C[C@@H]21

BIRTHDAY: 2018-12-03T02:39:08.858786
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H27N3O5

SMILES: COc1cccc(OC)c1CNC(=O)c1n[nH]cc1-c1c(C(C)(C)C)ccc(O)c1O

BIRTHDAY: 2018-11-30T03:41:05.785372
ATC: A10X
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- OTHER DRUGS USED IN DIABETES
Synthesis plan pending
FORMULA:C27H35NO5

SMILES: CC(C)c1cc(C(=O)c2ccc(C(=O)NCCCCCCC(=O)O)cc2)cc(C(C)C)c1O

BIRTHDAY: 2018-11-30T03:41:05.794419
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis plan pending
FORMULA:C28H54N4O5

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

BIRTHDAY: 2018-11-30T03:41:05.804799
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis plan pending
FORMULA:C22H28N2O5

SMILES: COc1cc(O)c(O)c(CNC(=O)[C@H](C)NC(=O)c2ccccc2C(C)(C)C)c1

BIRTHDAY: 2018-11-30T03:41:05.813953
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis plan pending
FORMULA:C23H34N6O5

SMILES: COc1ccc(OC)c(OC)c1CNC(=O)c1c(C(=O)NC(C)(C)N2CCCCC2)n[nH]c1N

BIRTHDAY: 2018-11-30T03:41:05.824823
ATC: A11C
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
Synthesis plan pending
FORMULA:C20H24O6

SMILES: COc1cc(C(=O)c2c(O)cc(C(C)(C)C(C)C)cc2O)cc(O)c1O

BIRTHDAY: 2018-11-30T03:41:05.833041
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis plan pending
FORMULA:C24H25N5O2

SMILES: COc1ccccc1C(=O)c1ccccc1CNc1nc(C)c2c(ncn2C(C)C)n1

BIRTHDAY: 2018-11-30T03:41:05.842527
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C23H47NO

SMILES: CCCCCCCCCCCCCCCCCCC(=O)NCC(C)C

BIRTHDAY: 2018-11-30T03:41:05.848569
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C22H30NO4P

SMILES: CCCCCC[C@H]1O[P@@](=O)(Nc2ccccc2)Oc2ccc(C(C)C)c(O)c21

BIRTHDAY: 2018-11-30T03:41:05.868066
ATC: S01J
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- DIAGNOSTIC AGENTS
Synthesis plan pending
FORMULA:C28H24N2O10

SMILES: CC1(C)Oc2cccc(c2)C(=O)[C@H](O)NCc2ccc(nc2C(=O)O)OC(=O)C=C1C(=O)c1c(O)cccc1O

BIRTHDAY: 2018-11-30T03:41:05.880819
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis plan pending
FORMULA:C28H54N4O5

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

BIRTHDAY: 2018-11-30T03:41:05.891178
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis plan pending
FORMULA:C33H41NO4

SMILES: CC(C)Cc1ccccc1C(=O)Nc1cc(O)cc(C(=O)c2cc(O)cc(C(C)C)c2C(C)C)c1C(C)C

BIRTHDAY: 2018-11-30T03:41:05.907881
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C20H27ClN6O3

SMILES: COc1ccc(CNc2ncnc(N)c2C(=O)NCCCN2CCOCC2)c(Cl)c1

BIRTHDAY: 2018-11-30T03:41:05.918116
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C18H12F2N6O3

SMILES: N#Cc1c(C(=O)NCc2cc(C(=O)Nc3ccc(F)c(F)c3)no2)ccnc1N

BIRTHDAY: 2018-11-30T03:41:05.928307
ATC: C02D
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis plan pending
FORMULA:C30H28FN5O4

SMILES: COc1ccccc1C(=O)c1ccccc1CNc1nc([C@H](O)F)c2c(ncn2[C@@]23C=CC=C[C@@H]2CC[C@@H]3O)n1

BIRTHDAY: 2018-11-30T03:41:05.941915
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis plan pending
FORMULA:C21H42O

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

BIRTHDAY: 2018-11-30T03:41:05.947547
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:C23H30N2O6

SMILES: CC(C)Cc1c(O)cc(O)cc1C(=O)c1c(C(=O)NC(C)(C)N(C)C)ccc(O)c1O

BIRTHDAY: 2018-11-30T03:41:05.957283
ATC: C05B
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- ANTIVARICOSE THERAPY
Synthesis plan pending
FORMULA:C28H48N2O3

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)Nc1cc(C(N)=O)ccc1O

BIRTHDAY: 2018-11-30T03:41:05.965572
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C24H45N3OS

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)NCC1=CNSN=C1

BIRTHDAY: 2018-11-19T08:15:25.036137
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C30H34N4O3

SMILES: COc1cccc(-c2c3cccc2O[C@H]2NN=C[C@]2(C(C)(C)C)NCc2cccc(c2)C(=O)NCC3)c1

BIRTHDAY: 2018-11-19T08:15:25.047383
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C23H30N2O6

SMILES: CC(C)Cc1c(C(=O)c2c(C(=O)NC(C)(C)N(C)C)ccc(O)c2O)ccc(O)c1O

BIRTHDAY: 2018-11-19T08:15:25.057647
ATC: D05B
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C25H42O3

SMILES: C[C@@H](C(=O)c1cccc(O)c1O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:15:25.065395
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C25H35NO3

SMILES: CC(C)Cc1cccc2c1NC[C@H](c1c(C(C)C)ccc(O)c1O)COC2(C)C

BIRTHDAY: 2018-11-19T08:15:25.073722
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C20H18F4N2OS

SMILES: CC(C)Cc1cccc(F)c1C(=O)c1c(C(F)(F)F)ccc2c1SC=N[C@H]2N

BIRTHDAY: 2018-11-19T08:15:25.084166
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C28H35N5O

SMILES: CCCCCCCNC(=O)c1cc(C(C)(C)C)cc2c(NCc3ccc(C#N)cc3)ncnc12

BIRTHDAY: 2018-11-19T08:15:25.099537
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C20H24O6

SMILES: CC(C)Cc1c(O)cc(O)c(O)c1C(=O)c1c(C(C)C)ccc(O)c1O

BIRTHDAY: 2018-11-19T08:15:25.108689
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C21H26N2O4S

SMILES: CNC(=O)c1onc(C#CC(C)(C)Sc2cc(OC)cc(OC)c2)c1C(C)C

BIRTHDAY: 2018-11-19T08:15:25.124866
ATC: V09A
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- CENTRAL NERVOUS SYSTEM
Synthesis Plan
FORMULA:C25H51NO2

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

BIRTHDAY: 2018-11-19T08:15:25.131826
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H32N2O3

SMILES: COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3C(C)(C)C)cc2)cc1

BIRTHDAY: 2018-11-19T08:15:25.140925
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C22H28N2O4S

SMILES: CNC(=O)c1noc(C(C)(C)C)c1C#CC(C)(C)Sc1c(OC)cccc1OC

BIRTHDAY: 2018-11-19T08:15:25.158293
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C28H32N2O3

SMILES: COc1ccc(C(=O)Nc2cccc(C(=O)Nc3c(C(C)C)cccc3C(C)(C)C)c2)cc1

BIRTHDAY: 2018-11-19T08:15:25.178938
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C27H46N2O3

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

BIRTHDAY: 2018-11-19T08:15:25.187819
ATC: G03C
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ESTROGENS
Synthesis Plan
FORMULA:C22H29NO5

SMILES: COc1ccc(CNC(=O)c2c(O)c(C(C)C)cc(C(C)(C)C)c2O)cc1O

BIRTHDAY: 2018-11-19T08:15:25.196299
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C24H28N6O

SMILES: COc1ccc(CNc2nc(N[C@@H](C)c3ccccc3)nc3c2ncn3C(C)C)cc1

BIRTHDAY: 2018-11-19T08:15:25.206154
ATC: A02A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- ANTACIDS
Synthesis Plan
FORMULA:C24H25N5O2

SMILES: COc1ccc(C(=O)c2ccc(CNc3nc(C)nc4c3ncn4C(C)C)cc2)cc1

BIRTHDAY: 2018-11-19T08:15:25.215692
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C23H30N6O5

SMILES: COc1ccc(OC)c(OC)c1CNc1cnc(C#N)nc1C(=O)NC(C)(C)N1CCOCC1

BIRTHDAY: 2018-11-19T08:15:25.233992
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C32H54N4O7

SMILES: CCC(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@@H](C)c1ncc2nc1NCNCCOC(=O)C[C@@H](C(=O)OC)[C@H](C(=O)OC)CO2

BIRTHDAY: 2018-11-19T08:15:25.248260
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C24H29NO6

SMILES: CC(C)c1cc(C(=O)c2ccc(C(=O)NCCCCCCC(=O)O)cc2)c(O)cc1O

BIRTHDAY: 2018-11-19T08:15:25.257326
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C22H29NO5

SMILES: COc1cc(CNC(=O)c2c(O)c(C(C)C)cc(C(C)(C)C)c2O)ccc1O

BIRTHDAY: 2018-11-19T08:15:25.265760
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C27H46O3

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)c1cccc(O)c1O

BIRTHDAY: 2018-11-19T08:15:25.273159
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C26H26F3N5O2

SMILES: CC(C)Cc1ccc(C(=O)c2ccc(CNc3nc(C(F)(F)F)nc4c3ncn4CCO)cc2)cc1

BIRTHDAY: 2018-11-19T08:15:25.284340
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C21H30N6O4

SMILES: CNC(=O)CN1Cc2c(C(=O)NC(C)C)noc2NCCOCCNc2cccc1c2

BIRTHDAY: 2018-11-19T08:15:25.301164
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C23H22F3N3O

SMILES: CC(C)Cc1ccc(C(=O)c2ccc(CNc3nccc(C(F)(F)F)n3)cc2)cc1

BIRTHDAY: 2018-11-19T08:15:25.310346
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C23H20F3N5O3

SMILES: COc1ccccc1C(=O)c1ccccc1CNc1nc(C(F)(F)F)c2c(ncn2[C@@H](C)O)n1

BIRTHDAY: 2018-11-19T08:15:25.321701
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C36H59NO5

SMILES: COC(=O)Cc1cc2ccc1[C@@](C)(C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)CC(=O)OC[C@@H](C)CCC(=O)CCCCN2

BIRTHDAY: 2018-11-19T08:15:25.332340
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C21H26N2O4S

SMILES: CNC(=O)c1onc(C(C)C)c1C#CC(C)(C)Sc1cc(OC)cc(OC)c1

BIRTHDAY: 2018-11-19T08:15:25.351362
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C27H27N3O3

SMILES: COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1[C@]1(C)[C@H]2CN[C@H]1C2

BIRTHDAY: 2018-11-19T08:15:25.361798
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H31NO5

SMILES: CCCCNC(=O)c1cc(C(C)C)c(O)c(-c2cc(O)c(O)cc2C(C)C)c1O

BIRTHDAY: 2018-11-19T08:15:25.371329
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C25H51NO

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

BIRTHDAY: 2018-11-19T08:15:25.377804
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C28H54N4O5

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

BIRTHDAY: 2018-11-19T08:15:25.388261
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C20H38NO3P

SMILES: COC(=O)C1=N[C@](C)(C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)[C@@H](C)PO1

BIRTHDAY: 2018-11-19T08:15:25.396222
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C21H15F6N3O2

SMILES: COc1ccc(C(=O)c2ccccc2CNc2c(C(F)(F)F)ncnc2C(F)(F)F)cc1

BIRTHDAY: 2018-11-19T08:15:25.413707
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C21H15F6N3O2

SMILES: COc1ccccc1C(=O)c1ccc(CNc2ncc(C(F)(F)F)c(C(F)(F)F)n2)cc1

BIRTHDAY: 2018-11-19T08:15:25.425382
ATC: A10X
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- OTHER DRUGS USED IN DIABETES
Synthesis Plan
FORMULA:C17H18O6

SMILES: CC(C)Cc1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c1O

BIRTHDAY: 2018-11-19T08:15:25.434272
ATC: C05B
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- ANTIVARICOSE THERAPY
Synthesis Plan
FORMULA:C24H21F6N3O

SMILES: CC(C)Cc1cccc(C(F)(F)F)c1C(=O)c1ccccc1CNc1cncnc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:15:25.452140
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C25H33NO4

SMILES: COc1ccc(O)c(C(=O)[C@@H](C)NC(=O)c2cccc(C(C)(C)C)c2C(C)(C)C)c1

BIRTHDAY: 2018-11-19T08:15:25.461457
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C17H18O6

SMILES: COc1cc(C(=O)c2cc(C(C)C)c(O)cc2O)cc(O)c1O

BIRTHDAY: 2018-11-19T08:15:25.469680
ATC: N07X
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- OTHER NERVOUS SYSTEM DRUGS
Synthesis Plan
FORMULA:C28H54N4O5

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

BIRTHDAY: 2018-11-19T08:15:25.491292
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C17H18O7

SMILES: COc1c(O)ccc(C(=O)c2c(O)c(O)cc(O)c2C(C)C)c1O

BIRTHDAY: 2018-11-19T08:15:25.499852
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C28H32N2O3

SMILES: COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(C(C)C)cc3C(C)(C)C)c2)cc1

BIRTHDAY: 2018-11-19T08:15:25.509193
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C30H41N3O4

SMILES: CCCCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN[C@@H](C)C(C)(C)C)cc1

BIRTHDAY: 2018-11-19T08:15:25.520235
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H22F3N3O

SMILES: CC(C)Cc1cccc(C(=O)c2ccccc2CNc2cnc(C(F)(F)F)nc2)c1

BIRTHDAY: 2018-11-19T08:15:25.529342
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C31H43N3O2S

SMILES: C[C@H]1[C@@H]2C=C[C@@H]1[C@H](C(N)=O)[C@H]2CCCCCCCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1

BIRTHDAY: 2018-11-19T08:15:25.539378
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C28H42N2O3

SMILES: CCCCCCCCCCCCCCCCCC1=NC(=O)[C@@H](C(N)=O)C(=O)c2ccccc21

BIRTHDAY: 2018-11-19T08:15:25.548142
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C23H47NO3

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

BIRTHDAY: 2018-11-19T08:15:25.555222
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C22H28N2O4S

SMILES: CNC(=O)c1c(C(C)(C)C)noc1C#CC(C)(C)Sc1c(OC)cccc1OC

BIRTHDAY: 2018-11-19T08:15:25.571302
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C16H14O7

SMILES: COc1cc(C(=O)c2c(O)cc(O)c(C(C)=O)c2O)ccc1O

BIRTHDAY: 2018-11-19T08:15:25.579564
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C25H21Cl3N4O

SMILES: CC(C)Cc1ccccc1C(=O)c1nn(-c2cc(Cl)cc(Cl)c2Cl)cc1-c1cnccc1N

BIRTHDAY: 2018-11-19T08:15:25.589924
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C24H28N6O

SMILES: COc1cccc(CNc2nc(N[C@H](C)c3ccccc3)c3c(ncn3C(C)C)n2)c1

BIRTHDAY: 2018-11-19T08:15:25.599716
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C15H13NO6

SMILES: COc1ccc(C(=O)c2c(O)cc(O)c(C(N)=O)c2O)cc1

BIRTHDAY: 2018-11-19T08:15:25.607924
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C26H25F3N2O2

SMILES: CC(C)Cc1ccccc1C(=O)c1c(C(=O)N[C@@H](C)c2ccccn2)cccc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:15:25.619834
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C9H16N2O2

SMILES: CC(C)[C@@]12C[C@H](O)[C@H](NC=CN1)O2

BIRTHDAY: 2018-11-19T08:15:25.626383
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C15H21N

SMILES: CC(C)(C)[C@]12C=C[C@@]3(C=CC=C[C@@H]13)CNC2

BIRTHDAY: 2018-11-19T08:15:25.632402
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C21H26N2O4S

SMILES: CNC(=O)c1c(C(C)C)noc1C#CC(C)(C)Sc1c(OC)cccc1OC

BIRTHDAY: 2018-11-19T08:15:25.647893
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C32H48N2O2

SMILES: CC(C)CC(=O)NCc1cc(C(C)C)c(C(C)C)cc1-c1ccc(C(=O)NCCCC(C)(C)C)cc1

BIRTHDAY: 2018-11-19T08:15:25.656891
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C28H54N4O5

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

BIRTHDAY: 2018-11-19T08:15:25.667292
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C22H25N3O5

SMILES: COc1cc(CNC(=O)c2cc(-c3cc(C(C)(C)C)c(O)cc3O)n[nH]2)ccc1O

BIRTHDAY: 2018-11-19T08:15:25.676772
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C18H21N5O4S

SMILES: CSc1nc(NCc2ccccc2)c2c(ncn2[C@@]2(CO)COC(O)(O)C2)n1

BIRTHDAY: 2018-11-19T08:15:25.687453
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C26H42N4O9S

SMILES: CNC(=O)c1cc(C#C[C@]2(C)CN([C@@H]3COCCOCCOCCOC[C@@H](C(C)(C)C)O3)CCS(=O)(=O)N2)on1

BIRTHDAY: 2018-11-19T08:15:25.700564
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C21H26N2O4S

SMILES: CNC(=O)c1noc(C(C)C)c1C#CC(C)(C)Sc1c(OC)cccc1OC

BIRTHDAY: 2018-11-19T08:15:25.709506
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C37H34N8O4

SMILES: COc1ccc(CNc2nc(C(=O)NCC3=CCOCc4cccc(c4)Nc4nccc(n4)-c4cccc(c4)OCC3)ncc2C#N)cc1

BIRTHDAY: 2018-11-19T08:15:25.723806
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H25NO6

SMILES: CC(C)c1c(O)cc(O)c(-c2c(O)ccc(O)c2O)c1C(=O)NC(C)(C)C

BIRTHDAY: 2018-11-19T08:15:25.733809
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C30H58N2

SMILES: CCCCCCCCCCCCCCCCCCCC1=CC=CCCNCCCNCC1

BIRTHDAY: 2018-11-30T17:23:27.650043
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C18H19NO8

SMILES: CCCCNC(=O)c1c(O)cc(O)c(C(=O)c2cc(O)c(O)c(O)c2)c1O

BIRTHDAY: 2018-11-30T17:23:27.659462
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C28H54N4O5

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

BIRTHDAY: 2018-11-30T17:23:27.669828
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C38H65NO3

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@@]1(C)C(=O)COCCCCCCCCC(=O)CCCNc2ccc1cc2

BIRTHDAY: 2018-11-30T17:23:27.679808
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C24H48O

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)C(C)C

BIRTHDAY: 2018-11-30T17:23:27.685545
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C37H47NO5

SMILES: CCCCCCCCCCc1cnc2cc1C(=O)O[C@@H](C(=O)c1ccc(O)c(O)c1)CCc1cccc(c1)CCCCC2

BIRTHDAY: 2018-11-30T17:23:27.696460
ATC: C03D
- CARDIOVASCULAR SYSTEM
- DIURETICS
- POTASSIUM-SPARING AGENTS
Synthesis Plan
FORMULA:C23H20F3N5O3

SMILES: COc1ccc(C(=O)c2ccc(CNc3nc(C(F)(F)F)nc4c3ncn4CCO)cc2)cc1

BIRTHDAY: 2018-11-30T17:23:27.707511
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C26H25F3N2O2

SMILES: CC(C)Cc1ccccc1C(=O)c1c(C(=O)N[C@H](C)c2ccccn2)cccc1C(F)(F)F

BIRTHDAY: 2018-11-30T17:23:27.719409
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C26H25NO4

SMILES: COc1ccccc1C(=O)c1ccccc1C(=O)Nc1cccc(C(C)=O)c1C(C)C

BIRTHDAY: 2018-11-30T17:23:27.728781
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C25H35NO

SMILES: CC(C)C[C@@H](C(=O)Nc1cccc(C(C)C)c1)c1ccccc1C(C)(C)C

BIRTHDAY: 2018-11-30T17:23:27.737224
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C24H32N6O2

SMILES: CC(C)c1cc(-c2cccc(C(=O)NCCCCN(C)C)c2O)c2nc(N)nc(N)c2c1

BIRTHDAY: 2018-11-30T17:23:27.746727
ATC: A10A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- INSULINS AND ANALOGUES
Synthesis Plan
FORMULA:C22H28N2O4S

SMILES: CNC(=O)c1c(C(C)(C)C)noc1C#CC(C)(C)Sc1cc(OC)ccc1OC

BIRTHDAY: 2018-11-30T17:23:27.764212
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C24H25N5O2

SMILES: COc1cccc(C(=O)c2ccccc2CNc2nc(C)c3c(ncn3C(C)C)n2)c1

BIRTHDAY: 2018-11-30T17:23:27.773537
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C20H24O6

SMILES: COc1cc(O)c(C(=O)c2cc(O)c(C(C)(C)C(C)C)c(O)c2)cc1O

BIRTHDAY: 2018-11-30T17:23:27.781721
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C33H26N6O3

SMILES: COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cc2cc(c1)Nc1ccnc(n1)Nc1cccc(c1)C=C2

BIRTHDAY: 2018-11-30T17:23:27.793825
ATC: P01A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Synthesis Plan
FORMULA:C28H32N2O3

SMILES: COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(C)C)c1C(C)(C)C

BIRTHDAY: 2018-11-30T17:23:27.803178
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C23H30N6O5

SMILES: COc1ccc(OC)c(OC)c1CNc1cnc(C(=O)NC(C)(C)N2CCOCC2)nc1C#N

BIRTHDAY: 2018-12-02T16:06:35.726610
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C31H40N2O4

SMILES: CC(C)c1ccccc1C(=O)c1ccccc1C(=O)NC(C)(C)C(C)(C)[C@@]1(C(N)=O)C[C@H]2CC[C@H]1CO2

BIRTHDAY: 2018-12-02T16:06:35.738697
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C24H33NO3

SMILES: COc1cc(CNC(=O)c2cccc(C(C)(C)C)c2C(C)(C)C)cc(OC)c1

BIRTHDAY: 2018-12-02T16:06:35.757575
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C16H23NO

SMILES: CC(C)Cc1cc2c(cc1O)N1CC[C@@H]2C1(C)C

BIRTHDAY: 2018-12-02T16:06:35.763938
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C19H16F6O3

SMILES: CC(C)Cc1cc(O)c(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)c1

BIRTHDAY: 2018-12-02T16:06:35.780343
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C23H30N2O6

SMILES: CC(C)Cc1ccc(O)c(C(=O)c2cc(C(=O)NCCCN(C)C)c(O)cc2O)c1O

BIRTHDAY: 2018-12-02T16:06:35.790006
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C33H64N4O4

SMILES: C[C@@H](C1=CCNCCNC1)[C@H](CO)NC(=O)[C@H](CO)NC(=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-02T16:06:35.800918
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C29H56N4O5

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(N)=O

BIRTHDAY: 2018-12-02T16:06:35.819937
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C10H19N

SMILES: CC1(C)[C@@H]2CCC[C@@H]1CNC2

BIRTHDAY: 2018-12-02T16:06:35.825157
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C20H24O6

SMILES: CC(C)Cc1cc(O)c(O)c(C(=O)c2c(C(C)C)ccc(O)c2O)c1O

BIRTHDAY: 2018-12-02T16:06:35.843994
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C26H44N2O3

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

BIRTHDAY: 2018-12-02T16:06:35.852055
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C20H26N6

SMILES: CC(C)c1ccc(CNc2nc(N)nc3c2ncn3C2CCCC2)cc1

BIRTHDAY: 2018-12-03T10:42:57.563773
ATC: A02A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- ANTACIDS
Synthesis Plan
FORMULA:C30H35NO3

SMILES: CC(C)Cc1ccc(C(=O)Nc2cc(C(=O)c3ccc(C(C)C)cc3)c(O)c(C(C)C)c2)cc1

BIRTHDAY: 2018-12-03T10:42:57.572788
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C27H46N2O4

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)N[C@]12OC=N[C@@H]1C=C(O)C=C2O

BIRTHDAY: 2018-12-03T10:42:57.581864
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C17H18O6

SMILES: COc1c(O)cccc1C(=O)c1c(O)c(O)cc(C(C)C)c1O

BIRTHDAY: 2018-12-03T10:42:57.596478
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C36H71N3O4

SMILES: CC(C)[C@H]1CCNC[C@](CO)(NC(=O)[C@@H](C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C)COCC(=O)CNC1

BIRTHDAY: 2018-12-03T10:42:57.616690
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H26N2O4S

SMILES: CNC(=O)c1noc(C#CC(C)(C)Sc2cc(OC)ccc2OC)c1C(C)C

BIRTHDAY: 2018-12-03T10:42:57.625386
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C37H69N3O4S

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](CC[C@@H]1C[C@H]2C[C@@H](C(N)=O)[C@H](C1)S2)C(C)C

BIRTHDAY: 2018-12-03T10:42:57.636972
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C27H38N2O4

SMILES: COc1ccc(CNC(=O)CCNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1OC

BIRTHDAY: 2018-12-03T10:42:57.663053
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H26N2O4S

SMILES: CNC(=O)c1onc(C#CC(C)(C)Sc2cccc(OC)c2OC)c1C(C)C

BIRTHDAY: 2018-12-03T10:42:57.671938
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H51NO2

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

BIRTHDAY: 2018-12-03T10:42:57.688416
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C29H54N2O3

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H]1CN(C)CCC(CO)=CC1=O

BIRTHDAY: 2018-12-03T10:42:57.696933
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C29H56N4O5

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(N)=O

BIRTHDAY: 2018-12-03T10:42:57.707154
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C26H36N2O5

SMILES: COc1cc(CNC(=O)CCNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(O)c1O

BIRTHDAY: 2018-12-03T10:42:57.716356
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C21H28N6O6

SMILES: CC(C)c1cc(CNc2nc(N)c3ncn([C@@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H]4CO)c3n2)cc(O)c1O

BIRTHDAY: 2018-12-03T19:11:22.602319
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C27H46N2O3

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

BIRTHDAY: 2018-12-03T19:11:22.610596
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C36H69N5O4S2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)N[C@@]12C=CCCSSC[C@H](CNCCN[C@@H](O)CO1)NCCNCC2=O

BIRTHDAY: 2018-12-03T19:11:22.623417
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C19H21Cl3N4O2

SMILES: C[C@@H]1CC(=O)c2c(c(C(=O)NCCN(C)C)nn2-c2c(Cl)cc(Cl)cc2Cl)C1

BIRTHDAY: 2018-12-03T19:11:22.644643
ATC: A11C
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
Synthesis Plan
FORMULA:C28H28FN3O5

SMILES: COc1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2-c2cc(C(C)C)c(O)cc2O)cc1OC

BIRTHDAY: 2018-12-03T19:11:22.665635
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C36H38N8O

SMILES: COc1ccccc1CNc1nc(NCc2ccccc2C#N)c2[nH]c(-n3c4cc5c3=C[C@@H](CCCCCCCC=4)C5)nc2n1

BIRTHDAY: 2018-12-03T19:11:22.680134
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:C26H29NO2

SMILES: COc1ccc2c(c1)Cc1cccc(c1)CCCCCc1cc(ccn1)[C@H](C)O2

BIRTHDAY: 2018-12-03T19:11:22.688405
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C24H25N7O

SMILES: COc1cccc(CNc2nc(NCc3cccc(C#N)c3)nc3ncn(C(C)C)c23)c1

BIRTHDAY: 2018-12-03T19:11:22.705688
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C24H22F3N3O3

SMILES: CC(C)Cc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(C(F)(F)F)cn3)ccc2O)cc1

BIRTHDAY: 2018-12-03T19:11:22.743475
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C27H48N4O3S

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)N1SC(NC(C)=O)=CN=C1NC(C)=O

BIRTHDAY: 2018-12-01T22:30:27.572733
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C21H19NO6Si

SMILES: COc1cc([C@@H]2[SiH2]c3ncc(O)cc3[C@H]2C(=O)c2ccc(O)c(O)c2)ccc1O

BIRTHDAY: 2018-12-01T22:30:27.582773
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C30H41N5O2

SMILES: C[C@@H](NC(=O)c1cc2nc(NCc3ccccc3C(C)(C)C)ncc2cc1C(C)(C)C)C(C)(C)C(N)=O

BIRTHDAY: 2018-12-01T22:30:27.593081
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C29H31N3O5

SMILES: COc1cc(CNC(=O)c2cnn(-c3ccccc3C)c2-c2cc(C(C)(C)C)c(O)cc2O)ccc1O

BIRTHDAY: 2018-12-01T22:30:27.604555
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C18H19NO5

SMILES: CCCCNC(=O)c1ccc(C(=O)c2ccc(O)c(O)c2O)cc1

BIRTHDAY: 2018-12-01T22:30:27.618846
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C21H25NO4

SMILES: COc1cc(O)cc(C(=O)[C@H](C)NC(=O)c2ccccc2C(C)(C)C)c1

BIRTHDAY: 2018-12-01T22:30:27.634389
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C25H51NO

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

BIRTHDAY: 2018-12-01T22:30:27.651698
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C27H52N4O5

SMILES: CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(N)=O

BIRTHDAY: 2018-12-01T22:30:27.661603
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C25H25N3O3S

SMILES: COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc4c3NCC[C@H](C)S4)cc2)cc1

BIRTHDAY: 2018-12-01T22:30:27.692873
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C20H22FN7O2

SMILES: CNC(=O)c1cnn(CC(C)C)c1NC(=O)c1cnc(-c2cccc(F)c2)c(N)n1

BIRTHDAY: 2018-12-01T22:30:27.709576
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C32H19Cl3N4

SMILES: Clc1ccc(-c2c3nc(cc4ccc(cc5ccc(cc6nc2C=C6c2ccc(Cl)cc2Cl)[nH]5)[nH]4)C=C3)cc1

BIRTHDAY: 2018-12-01T22:30:27.721137
ATC: S01X
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OTHER OPHTHALMOLOGICALS
Synthesis Plan