matter.farm

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

These compounds may interact with:

Endothelin-converting enzyme 1

Potentially involved in: hirschsprung's disease; carcinoma; amyotrophic lateral sclerosis; hypertension; alzheimer's disease; candidiasis; atherosclerosis; abdominal pain; constipation; diabetes mellitus, non-insulin-dependent; patent ductus arteriosus; dysautonomia; congenital heart defects; atrial septal defects; ventricular septal defects; hirschsprung disease; hypertensive disease; intestinal obstruction; megacolon; nausea and vomiting

Disease data sourced from Pharos.

Unknown Action

FORMULA:C13H23N3O5S

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

BIRTHDAY: 2018-12-01T14:10:31.554147
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H48N4O3S

SMILES: CC(C)[C@@H](S)C(=O)N[C@@H](C(=O)N[C@H](C(C)C)[C@H]1CCCC=CCCNCCNCC1=O)C(C)C

BIRTHDAY: 2018-12-01T14:10:31.564031
ATC: A11H
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- OTHER PLAIN VITAMIN PREPARATIONS
Synthesis Plan
FORMULA:C20H34N2O7

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

BIRTHDAY: 2018-12-01T14:10:31.574041
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C36H63NO2S

SMILES: CC(C)[C@H](S)C(=O)N[C@H]1C[C@@H](C(C)(C)C)C[C@@]2(C(C)(C)C)CCCC(C(C)(C)C)=C2C2=C[C@@](C(C)(C)C)(C1)OC2

BIRTHDAY: 2018-12-01T14:10:31.584386
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C29H27NO2

SMILES: COc1ccc([C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1

BIRTHDAY: 2018-12-01T14:10:31.593091
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C17H21F2N3O8S

SMILES: C[C@H](C(=O)O)[C@@H](NC(=O)[C@@H](Cc1c(F)cccc1F)NS(C)(=O)=O)C(=O)NCC(=O)O

BIRTHDAY: 2018-12-01T14:10:31.604561
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C7H16NOSSb

SMILES: CC(C)(C)[C@H](S)C(=O)NC[SbH2]

BIRTHDAY: 2018-12-01T14:10:31.610442
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C22H21F5N2O4S

SMILES: O=C(N[C@H](Cc1cc(F)cc(F)c1)C(=O)O)[C@H](CC(F)(F)F)NC(=O)[C@H](S)Cc1ccccc1

BIRTHDAY: 2018-12-01T14:10:31.622497
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H26F2N4O9S

SMILES: CS(=O)(=O)N[C@@H](Cc1cc(F)ccc1F)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

BIRTHDAY: 2018-12-01T14:10:31.635784
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C14H22F3N3O5S

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

BIRTHDAY: 2018-12-01T14:10:31.645762
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C14H22F3N3O5S

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

BIRTHDAY: 2018-12-01T14:10:31.655644
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C27H23FN4O7

SMILES: N#[N+]CC(=O)[C@H](C(=O)NO)c1ccc(OCC(=O)N[C@@H](C(=O)[O-])[C@H](c2ccccc2)c2ccc(F)cc2)cc1

BIRTHDAY: 2018-12-01T14:10:31.680496
ATC: D06B
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C18H20F5N3O6

SMILES: C[C@@H](C(=O)O)[C@@H](N)C(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@H](Cc1c(F)cccc1F)C(=O)O

BIRTHDAY: 2018-12-01T14:10:31.692500
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H24F3N3O6

SMILES: N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-12-01T14:10:31.703927
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C19H31N5O9S

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

BIRTHDAY: 2018-12-01T14:10:31.716155
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C14H25N3O5S

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

BIRTHDAY: 2018-12-01T14:10:31.725160
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C29H27NO2

SMILES: COc1ccccc1[C@@H](C(=O)NCC(c1ccccc1)c1ccccc1)c1ccccc1

BIRTHDAY: 2018-12-01T14:10:31.733726
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C23H24F3N3O6

SMILES: N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-12-25T02:02:34.168821
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C19H31N5O9S

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

BIRTHDAY: 2018-12-25T02:02:34.181029
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C14H25N3O5S

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

BIRTHDAY: 2018-12-25T02:02:34.189954
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C22H21F5N2O4

SMILES: O=C(CCc1ccccc1)N[C@H](CC(F)(F)F)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)O

BIRTHDAY: 2018-12-25T02:02:34.210393
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H21F5N2O4

SMILES: C[C@@H](C(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@H](Cc1cccc(F)c1F)C(=O)O)c1ccccc1

BIRTHDAY: 2018-12-25T02:02:34.221784
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C18H33N5O2S

SMILES: CC(C)[C@H](CCc1nn[cH-][nH+]1)NC(=O)[C@@H](NC(=O)[C@H](S)C(C)C)C(C)C

BIRTHDAY: 2018-12-25T02:02:34.230893
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C29H27NO2

SMILES: COc1ccc([C@H](C(=O)NCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1

BIRTHDAY: 2018-12-25T02:02:34.239643
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C14H22F3N3O5S

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

BIRTHDAY: 2018-12-25T02:02:34.249429
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C33H55N5O4S

SMILES: CC(C)[C@H](S)C(=O)N[C@H](C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CCC1(N)[C@H]2[C@H]3[C@H]4C[C@@H]2[C@@H]2[C@@H]4C[C@H]3[C@H]21)C(C)(C)C)C(C)C

BIRTHDAY: 2018-12-25T02:02:34.281857
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C16H26NO4P

SMILES: CC(C)(NC(=O)P(=O)(O)O)C(C)(C)C(C)(C)c1ccccc1

BIRTHDAY: 2018-12-25T02:02:34.289282
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C29H27NO2

SMILES: COc1ccccc1[C@H](C(=O)NCC(c1ccccc1)c1ccccc1)c1ccccc1

BIRTHDAY: 2018-12-25T02:02:34.297806
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C41H52N4O7S3

SMILES: CC(C)[C@H](S)C(=O)N[C@]1(C(=O)N[C@H](CCC(N)=O)c2ccc3cc2CNCCCCOCCCCO3)C[C@@H](Sc2ccc(C(=O)O)cc2)Sc2ccccc21

BIRTHDAY: 2018-12-25T02:02:34.315793
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C18H31N5O7S

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

BIRTHDAY: 2018-12-25T02:02:34.335578
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H33F3N2O5

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

BIRTHDAY: 2018-12-25T02:02:34.346021
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C18H31N5O7S

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

BIRTHDAY: 2018-12-25T02:02:34.357579
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C31H30F3N7O8

SMILES: O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1N[C@]12COC=CNCNc3cnc(CO)c(n3)OCC1=C(N[C@H](CO)C(=O)O)C2=O

BIRTHDAY: 2018-12-03T02:38:38.012863
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C27H28F5N3O7

SMILES: O=C(O)CC[C@@H](NC(=O)CCc1ccccc1)C(=O)N[C@H](CC(F)(F)F)C(=O)N[C@H](Cc1ccc(F)c(F)c1)C(=O)O

BIRTHDAY: 2018-12-03T02:38:38.026896
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C14H22F3N3O5S

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

BIRTHDAY: 2018-12-03T02:38:38.036806
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C31H40N6O4S2

SMILES: C[C@@H]1CNCCNCC(=O)C(C(=O)N[C@@H](C(=O)NC2(C#N)CC2)[C@@]2(C)NC=C[C@@]23CSCCS3)=CCOc2ccc1cc2

BIRTHDAY: 2018-12-03T02:38:38.051056
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C14H22F3N3O5S

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

BIRTHDAY: 2018-12-03T02:38:38.061002
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C24H44N4O6

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

BIRTHDAY: 2018-12-03T02:38:38.071496
ATC: H02C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- ANTIADRENAL PREPARATIONS
Synthesis Plan
FORMULA:C23H23F3N2O6

SMILES: O=C(O)C[C@@H](NC(=O)CCc1ccccc1)C(=O)N[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O

BIRTHDAY: 2018-12-03T02:38:38.082508
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C29H27NO2

SMILES: COc1cccc([C@H](C(=O)NCC(c2ccccc2)c2ccccc2)c2ccccc2)c1

BIRTHDAY: 2018-12-03T02:38:38.091034
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C28H33N6O8P

SMILES: C[C@H](NC(=O)P(=O)(O)O)[C@@]1(C(=O)Nc2ccccc2-c2ccccc2)OCCNCNc2cncc(n2)OCCCC1=O

BIRTHDAY: 2018-12-03T02:38:38.107215
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C30H37ClF3NO2

SMILES: CC(C)C(CNC(=O)[C@H](Cc1ccccc1)[C@H]1C[C@@H]2c3cc(Cl)ccc3[C@@H]1C[C@@]2(O)C(F)(F)F)C(C)C

BIRTHDAY: 2018-12-03T02:38:38.117869
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H32N4O4

SMILES: CC(C)[C@H](CC(=O)NO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1

BIRTHDAY: 2018-12-03T02:38:38.128074
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H33F3N2O5

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

BIRTHDAY: 2018-12-03T02:38:38.158458
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C28H48N4O8

SMILES: CC(C)CC(CC(C)C)C(=O)N[C@@H](C(=O)N[C@]1(CC(=O)O)[C@@H]2CC[C@@H](CN1[C@H](C(=O)O)[C@H](C)C(=O)O)N2)C(C)C

BIRTHDAY: 2018-12-03T02:38:38.179727
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H24F3N3O6

SMILES: N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-12-03T02:38:38.191133
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C27H50N2O4

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

BIRTHDAY: 2018-12-03T02:38:38.200619
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C18H31N5O7S

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

BIRTHDAY: 2018-12-03T02:38:38.211630
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H32N4O4

SMILES: CCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)C(C)C

BIRTHDAY: 2018-11-30T03:40:34.449450
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H34N4O4

SMILES: CC(C)[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@@H](C)c1ccccc1)[C@@]1(C)CNc2ccccc21

BIRTHDAY: 2018-11-30T03:40:34.460086
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C18H31N5O7S

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

BIRTHDAY: 2018-11-30T03:40:34.471234
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C31H30F3N3O7

SMILES: O=C(O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O

BIRTHDAY: 2018-11-30T03:40:34.485240
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C20H29F3N4O3

SMILES: O=C1CCCNc2cccc(C[C@H](C(=O)O)C(F)(F)F)c2NCCNCCCNC1

BIRTHDAY: 2018-11-30T03:40:34.502931
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C18H20F5N3O6

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

BIRTHDAY: 2018-11-30T03:40:34.514847
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C17H21F2N3O8S

SMILES: C[C@H](C(=O)O)[C@H](NC(=O)[C@H](Cc1cccc(F)c1F)NS(C)(=O)=O)C(=O)NCC(=O)O

BIRTHDAY: 2018-11-30T03:40:34.526281
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C22H21F5N2O4

SMILES: C[C@H](C(=O)N[C@H](CC(F)(F)F)C(=O)N[C@@H](Cc1c(F)cccc1F)C(=O)O)c1ccccc1

BIRTHDAY: 2018-11-30T03:40:34.538012
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C23H24F3N3O6

SMILES: N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O

BIRTHDAY: 2018-11-30T03:40:34.558725
ATC: V09X
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- OTHER DIAGNOSTIC RADIOPHARMACEUTICALS
Synthesis Plan
FORMULA:C31H39N3O5

SMILES: CC(C)[C@@]1(C(=O)[O-])C=C(N2CCc3ccc(nc3)OCCC(=O)COc3cccc(c3)C2)C[C@@]12CCC[NH2+]C2

BIRTHDAY: 2018-11-30T03:40:34.570917
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C16H17F3N2O2S

SMILES: CC(C)[C@@H](S)C(=O)NC1=NC=C(c2ccc(C(F)(F)F)cc2)OC1

BIRTHDAY: 2018-11-30T03:40:34.579413
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:C24H31N3O5S

SMILES: CC(C)[C@H](S)C(=O)NC1(C(=O)N[C@H](C(=O)O)[C@H](C)c2ccncc2-c2ccoc2)CCCC1

BIRTHDAY: 2018-11-30T03:40:34.602180
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C18H31N5O7S

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

BIRTHDAY: 2018-11-30T03:40:34.613545
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C14H22F3N3O5S

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

BIRTHDAY: 2018-11-30T03:40:34.623555
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C24H28N4O5

SMILES: CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C(=O)NO)c1ccc(OC)cc1

BIRTHDAY: 2018-11-30T03:40:34.633978
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C30H32ClN2O3P

SMILES: C[C@]1(P(=O)(O)O)C[C@H]2N[C@H]3[C@@H]1[C@H]1CC[C@H]3[C@H](N1)[C@]2(c1cccc(Cl)c1)c1cccc(-c2ccccc2)c1

BIRTHDAY: 2018-11-30T03:40:34.645279
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C15H26N2O2S

SMILES: CC(C)[C@H](S)C(=O)N[C@H](C(=O)N1CC2CC1C2)C(C)C

BIRTHDAY: 2018-11-19T08:19:03.766653
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C18H25N3O2S

SMILES: CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2NC[C@H]1[C@@H]2CC(=O)Nc1ccccc1

BIRTHDAY: 2018-11-19T08:19:03.775155
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C17H21F2N3O8S

SMILES: C[C@@H](C(=O)O)[C@@H](NC(=O)[C@H](Cc1cccc(F)c1F)NS(C)(=O)=O)C(=O)NCC(=O)O

BIRTHDAY: 2018-11-19T08:19:03.786757
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C14H25N3O5S

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

BIRTHDAY: 2018-11-19T08:19:03.795982
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C22H34N4O4

SMILES: CC(C)[C@@H](CC(=O)NO)C(=O)N[C@@H](C(=O)NC(C)(C)C)[C@@]1(C)CNc2ccccc21

BIRTHDAY: 2018-11-19T08:19:03.805900
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C14H24N2O5S

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

BIRTHDAY: 2018-11-19T08:19:03.814577
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C18H31N5O7S

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

BIRTHDAY: 2018-11-19T08:19:03.834614
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C22H21F5N2O4

SMILES: C[C@H](C(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@@H](Cc1c(F)cccc1F)C(=O)O)c1ccccc1

BIRTHDAY: 2018-11-19T08:19:03.846550
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C39H43N7O4

SMILES: CC(C)[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)c1ccc2cc1Nc1nccc(n1)-c1cccc(c1)OCCC=CCNC2

BIRTHDAY: 2018-11-19T08:19:03.869801
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C22H21F5N2O4

SMILES: O=C(CCc1ccccc1)N[C@@H](CC(F)(F)F)C(=O)N[C@H](Cc1ccc(F)cc1F)C(=O)O

BIRTHDAY: 2018-11-19T08:19:03.880979
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C19H33N5O7S

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

BIRTHDAY: 2018-11-19T08:19:03.892456
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C34H53N7O5S

SMILES: CC(C)[C@H](S)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1[C@]1(N)C[C@H]2CC[C@H]3CCN1[C@@H]3C2)C(N)=O)[C@H](C)C(N)=O)C(C)C

BIRTHDAY: 2018-11-19T08:19:03.906926
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C14H22F3N3O5S

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

BIRTHDAY: 2018-11-19T08:19:03.927143
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C24H25N3O6

SMILES: O=C(O)C[C@@H](NC(=O)CCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

BIRTHDAY: 2018-11-19T08:19:03.938366
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis Plan
FORMULA:C14H22F3N3O5S

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

BIRTHDAY: 2018-11-19T08:19:03.958441
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C14H25N3O5S

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

BIRTHDAY: 2018-11-19T08:19:03.967547
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C16H26NO4P

SMILES: C[C@@H](c1ccccc1)C(C)(C)C(C)(C)CNC(=O)P(=O)(O)O

BIRTHDAY: 2018-11-19T08:19:03.975277
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C22H21F5N2O4S

SMILES: O=C(N[C@@H](CC(F)(F)F)C(=O)N[C@H](Cc1c(F)cccc1F)C(=O)O)[C@@H](S)Cc1ccccc1

BIRTHDAY: 2018-11-19T08:19:03.987307
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C14H25N3O5S

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

BIRTHDAY: 2018-11-19T08:19:03.996439
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C21H22F3NO3S

SMILES: CC(C)[C@@H](S)C(=O)N[C@H](Cc1ccccc1-c1ccc(C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:19:04.005897
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C24H33F2NOS

SMILES: CC(C)C[C@@]1(c2cc(F)cc(F)c2)C[C@]2(NC(=O)[C@H](S)C(C)(C)C)C=CC[C@H]1C2

BIRTHDAY: 2018-11-19T08:19:04.015036
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H29N3O5S

SMILES: CC(C)[C@@H](S)C(=O)NC1(C(=O)N[C@H](C(=O)O)[C@@H](C)C(N)=O)CCCCC1

BIRTHDAY: 2018-11-19T08:19:04.024771
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C18H31N5O7S

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

BIRTHDAY: 2018-11-19T08:19:04.035913
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C14H22F3N3O5S

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

BIRTHDAY: 2018-11-19T08:19:04.045897
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C21H35N3O6S2

SMILES: CC(C)[C@H](S)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)[C@H](C)[C@]12CCO[C@H](SC1)[C@H]2C(N)=O)C(C)C

BIRTHDAY: 2018-11-19T08:19:04.057131
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H21F5N2O4S

SMILES: O=C(N[C@@H](CC(F)(F)F)C(=O)N[C@H](Cc1ccc(F)cc1F)C(=O)O)[C@@H](S)Cc1ccccc1

BIRTHDAY: 2018-11-19T08:19:04.079233
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C22H32N4O4

SMILES: CCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)NO)C(C)C

BIRTHDAY: 2018-11-19T08:19:04.088990
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H40N2O5

SMILES: CC(C)CC(CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CC1=CC(=O)c2ccccc2C1)C(=O)O)C(C)C

BIRTHDAY: 2018-11-19T08:19:04.099695
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C19H32NO4P

SMILES: O=C(NCCCCCCCCCCCCc1ccccc1)P(=O)(O)O

BIRTHDAY: 2018-11-19T08:19:04.119056
ATC: M03C
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, DIRECTLY ACTING AGENTS
Synthesis Plan
FORMULA:C23H43N3O5

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

BIRTHDAY: 2018-11-19T08:19:04.128819
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C12H19N3O3S

SMILES: CC(C)[C@@H](S)C(=O)NC1(C(=O)N2CC=NO2)CCC1

BIRTHDAY: 2018-11-19T08:19:04.136846
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H24F3N3O6

SMILES: N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)O

BIRTHDAY: 2018-11-19T08:19:04.148708
ATC: V09X
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- OTHER DIAGNOSTIC RADIOPHARMACEUTICALS
Synthesis Plan
FORMULA:C14H23N3O7S

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

BIRTHDAY: 2018-11-19T08:19:04.168409
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C14H22F3N3O5S

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

BIRTHDAY: 2018-11-19T08:19:04.178462
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C20H26F2N4O9S

SMILES: CS(=O)(=O)N[C@H](Cc1cc(F)ccc1F)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

BIRTHDAY: 2018-11-19T08:19:04.201475
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C22H21F5N2O4

SMILES: O=C(CCc1ccccc1)N[C@H](CC(F)(F)F)C(=O)N[C@@H](Cc1ccc(F)cc1F)C(=O)O

BIRTHDAY: 2018-11-19T08:19:04.212662
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C31H28N2O4

SMILES: O=C1CNCc2cccc(c2)CNc2c(C[C@H](C(=O)O)c3ccccc3)cccc2Oc2cccc1c2

BIRTHDAY: 2018-11-19T08:19:04.223339
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C19H31N5O9S

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

BIRTHDAY: 2018-11-19T08:19:04.235604
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C18H31N5O7S

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

BIRTHDAY: 2018-11-19T08:19:04.246892
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C20H26F2N4O9S

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

BIRTHDAY: 2018-11-19T08:19:04.269512
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C23H24F3N3O6

SMILES: N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:19:04.281111
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C24H44N4O6

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

BIRTHDAY: 2018-11-19T08:19:04.292203
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C16H26NO4P

SMILES: O=C(NCCCCCCCCCc1ccccc1)P(=O)(O)O

BIRTHDAY: 2018-11-19T08:19:04.308495
ATC: M03C
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, DIRECTLY ACTING AGENTS
Synthesis Plan
FORMULA:C24H42N2O3S2

SMILES: CC(C)C[C@]1(C(=O)N[C@@H](C(=O)O)C(C)C)CC[C@]23CCC[C@@H](C1)N2[C@@H](C(C)(C)C)SS3

BIRTHDAY: 2018-11-19T08:19:04.318897
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C14H26N2O3S2

SMILES: CC(C)[C@H](S)C(=O)N[C@@H](C(=O)N1CCOCCS1)C(C)C

BIRTHDAY: 2018-11-19T08:19:04.327137
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C25H35FN4O6S

SMILES: CC(C)[C@@H](S)C(=O)NC1(C(=O)N[C@H](C(=O)N[C@H](Cc2cccc(F)c2)C(=O)O)[C@@H](C)C(N)=O)CCCC1

BIRTHDAY: 2018-11-19T08:19:04.339598
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H37N3O7

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

BIRTHDAY: 2018-11-19T08:19:04.358433
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C12H20N2O5S

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

BIRTHDAY: 2018-11-19T08:19:04.367113
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C16H27NOS2

SMILES: CC(C)[C@@H](S)C(=O)NC1=CSC=CC1(C(C)C)C(C)C

BIRTHDAY: 2018-11-19T08:19:04.374532
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C14H25N3O5S

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

BIRTHDAY: 2018-11-19T08:19:04.383634
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H21F5N2O4

SMILES: O=C(CCc1ccccc1)N[C@@H](CC(F)(F)F)C(=O)N[C@H](Cc1cc(F)cc(F)c1)C(=O)O

BIRTHDAY: 2018-11-19T08:19:04.394565
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H31N5O7S

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

BIRTHDAY: 2018-11-19T08:19:04.405732
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H34N2O7

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

BIRTHDAY: 2018-11-19T08:19:04.415877
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C29H30N4O5

SMILES: COc1ccc([C@@H](C(=O)NO)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:19:04.427562
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C19H31N5O9S

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

BIRTHDAY: 2018-11-19T08:19:04.440172
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C14H22F3N3O5S

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

BIRTHDAY: 2018-11-19T08:19:04.450214
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C18H31N5O7S

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

BIRTHDAY: 2018-11-19T08:19:04.483086
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H45N7O9S

SMILES: CC(C)[C@H](S)C(=O)N[C@@H](C(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCC(N)=O)[C@@]1(O)N[C@H]2C[C@H]3C[C@H]1C[C@@](C(N)=O)(C3)C2

BIRTHDAY: 2018-11-30T17:22:56.193115
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H21F5N2O4

SMILES: O=C(CCc1ccccc1)N[C@@H](CC(F)(F)F)C(=O)N[C@H](Cc1ccc(F)c(F)c1)C(=O)O

BIRTHDAY: 2018-11-30T17:22:56.204001
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C14H25N3O5S

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

BIRTHDAY: 2018-11-30T17:22:56.213066
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H23F3N2O6

SMILES: O=C(O)C[C@@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-11-30T17:22:56.224019
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C26H35N4O4P

SMILES: CC(C)(NC(=O)P(=O)([O-])O)C(C)(C)C(C)(C)C1=NCC(c2ccccc2)(c2ccccc2)C[NH+]=N1

BIRTHDAY: 2018-11-30T17:22:56.234657
ATC: H02C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- ANTIADRENAL PREPARATIONS
Synthesis Plan
FORMULA:C21H30F2N2O2S3

SMILES: CC(C)[C@@H](S)C(=O)N[C@@H](C)C(=O)N[C@@]1(C(C)C)CSCS[C@H]1c1c(F)cccc1F

BIRTHDAY: 2018-11-30T17:22:56.245411
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H28F5N3O7

SMILES: C[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@@H](Cc1cccc(F)c1F)C(=O)O)[C@H](C)C(=O)O)c1ccccc1

BIRTHDAY: 2018-11-30T17:22:56.259744
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C14H23N3O7S

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

BIRTHDAY: 2018-11-30T17:22:56.269344
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C19H25FN4O4

SMILES: O=C(CNC(=O)[C@]1(C(=O)O)CCCCCNC=CN1)NCc1ccccc1F

BIRTHDAY: 2018-11-30T17:22:56.279361
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C21H37N3O7

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

BIRTHDAY: 2018-11-30T17:22:56.289331
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C31H47F2N3O2S

SMILES: CC(C)[C@@H](S)[C@@]12CC[C@H]([C@@H]1/C=N/O)[C@@H]2C(=O)N[C@@H](Cc1ccccc1F)[C@]1(F)CCCCCCCCCNC1

BIRTHDAY: 2018-11-30T17:22:56.310598
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H28F5N3O7

SMILES: C[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@@H](Cc1cccc(F)c1F)C(=O)O)[C@H](C)C(=O)O)c1ccccc1

BIRTHDAY: 2018-11-30T17:22:56.333950
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C32H53N3O6S

SMILES: CC(C)[C@@H](S)C(=O)N[C@@H](C(=O)O)C(=O)N[C@@H](CCC(N)=O)C1=C(C(C)(C)C)CCC=CCCC[C@H]2C[C@@H](CCO2)CC1

BIRTHDAY: 2018-12-02T16:06:04.452430
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C27H40N6O6S

SMILES: CC(C)[C@@H](S)C(=O)NC1(C(=O)N[C@@H](C(=O)N[C@H](Cc2ccccc2C(=N)N)C(=O)O)[C@@H](C)C(N)=O)CCCCC1

BIRTHDAY: 2018-12-02T16:06:04.487190
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C20H34N2O7

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

BIRTHDAY: 2018-12-02T16:06:04.497251
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C14H25N3O5S

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

BIRTHDAY: 2018-12-02T16:06:04.506261
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C22H37N3O9

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

BIRTHDAY: 2018-12-02T16:06:04.557197
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H21F5N2O4

SMILES: C[C@@H](C(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@H](Cc1c(F)cccc1F)C(=O)O)c1ccccc1

BIRTHDAY: 2018-12-02T16:06:04.569094
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C23H34N6O6S

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

BIRTHDAY: 2018-12-02T16:06:04.593182
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H28ClN2O5P

SMILES: O=C(NCCCCCCCc1ccccc1)[C@H](Cl)c1ccc(NC(=O)P(=O)(O)O)cc1

BIRTHDAY: 2018-12-02T16:06:04.620240
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C14H23N3O7S

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

BIRTHDAY: 2018-12-02T16:06:04.629904
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C14H25N3O5S

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

BIRTHDAY: 2018-12-02T16:06:04.638944
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C22H21F5N2O4

SMILES: O=C(CCc1ccccc1)N[C@@H](CC(F)(F)F)C(=O)N[C@@H](Cc1ccc(F)cc1F)C(=O)O

BIRTHDAY: 2018-12-03T10:42:26.273139
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C17H31N5O5S

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

BIRTHDAY: 2018-12-03T10:42:26.283011
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C27H39N3O5S

SMILES: CC(C)[C@H](S)C(=O)N[C@H](C(=O)N[C@@H](CC[C@H]1[C@H]2C(=O)C[C@@H](Cc3ccccc32)N1C)C(=O)O)C(C)C

BIRTHDAY: 2018-12-03T10:42:26.305095
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C13H23N3O5S

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

BIRTHDAY: 2018-12-03T10:42:26.313683
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C14H23N3O7S

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

BIRTHDAY: 2018-12-03T10:42:26.331973
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C22H34N4O4

SMILES: CC(C)[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)(C)C)[C@]1(C)CNc2ccccc21

BIRTHDAY: 2018-12-03T10:42:26.341696
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C22H38N2O3

SMILES: CC(C)C[C@H](C(=O)N[C@@H](C(=O)O)C(C)(C)C)[C@]1(C)[C@H]2CCCN3[C@H]2CC[C@@H]31

BIRTHDAY: 2018-12-03T10:42:26.366583
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H41N3O4S

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

BIRTHDAY: 2018-12-03T10:42:26.383926
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H27N5O7S2

SMILES: CC(C)[C@@H](S)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)[C@H](C)C(N)=O)[C@]12C=CC=C[C@@H]1S(=O)(=O)NC=N2

BIRTHDAY: 2018-12-03T10:42:26.406136
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C19H31N5O9S

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

BIRTHDAY: 2018-12-03T10:42:26.418412
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C22H21F5N2O4

SMILES: C[C@@H](C(=O)N[C@H](CC(F)(F)F)C(=O)N[C@H](Cc1cccc(F)c1F)C(=O)O)c1ccccc1

BIRTHDAY: 2018-12-03T10:42:26.429992
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C28H30N2O2

SMILES: Cc1c2c3[nH]c1=CCCCCC[C@@H](c1cocc1-c1c[nH]cc1-c1ccoc1)C[C@H](C=3)C2

BIRTHDAY: 2018-12-03T19:10:51.789378
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C31H30F3N3O7

SMILES: O=C(O)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-12-03T19:10:51.802937
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C37H44F2N6O4

SMILES: C[C@@]1(C2(C(=O)N[C@@H](Cc3cccc(F)c3F)C(=O)O)CCCC2)CCN2C[C@H]1COCC=CCNCc1cccc(c1)Nc1nccc2n1

BIRTHDAY: 2018-12-03T19:10:51.819401
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C16H21F2N3O3S

SMILES: CS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N1C=CCNCCC1

BIRTHDAY: 2018-12-03T19:10:51.829048
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H31N5O9S

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

BIRTHDAY: 2018-12-03T19:10:51.860370
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C13H23N3O5S

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

BIRTHDAY: 2018-12-03T19:10:51.899089
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H44N4O6

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

BIRTHDAY: 2018-12-03T19:10:51.909737
ATC: H02C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- ANTIADRENAL PREPARATIONS
Synthesis Plan
FORMULA:C23H29NOS

SMILES: CC(C)[C@H](S)[C@@H]1C[C@H]2CN[C@H](c3ccccc3)[C@H](C1)c1cccc(O)c12

BIRTHDAY: 2018-12-03T19:10:51.929289
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C20H17N2O5P

SMILES: O=C(Nc1ccccc1NC(=O)P(=O)(O)O)c1ccccc1-c1ccccc1

BIRTHDAY: 2018-12-03T19:10:51.938893
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C32H53N9O8S

SMILES: CC(C)[C@H](S)C(=O)N[C@@H](C(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc([C@]2(N)CCNCCNCCCNCCN2)cc1)C(=O)O

BIRTHDAY: 2018-12-03T19:10:51.954745
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H42N4O5

SMILES: COc1ccc(C2(C(=O)N[C@H](CCCCCC(N)=O)C(=O)NCCCCCCC(N)=O)CCC2)cc1

BIRTHDAY: 2018-12-01T22:29:56.631912
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C23H43N3O5

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

BIRTHDAY: 2018-12-01T22:29:56.641786
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C15H27N3O5S

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

BIRTHDAY: 2018-12-01T22:29:56.650682
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C41H40F2N2O4S

SMILES: CS(=O)(=O)N[C@H]1Cc2cccc(c2)CCCOCc2ccc(C(c3ccc(F)cc3)c3ccc(F)cc3)c(c2)C(=O)N(Cc2ccccc2)C1

BIRTHDAY: 2018-12-01T22:29:56.667353
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H35N3O6S2

SMILES: CC(C)[C@@H](S)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)C(N)=O)[C@@]1(C)S[C@H]2C[C@@H]1[C@@H](c1ccccc1)CO2

BIRTHDAY: 2018-12-01T22:29:56.682833
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C20H34N2O7

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

BIRTHDAY: 2018-12-01T22:29:56.713506
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C32H49N7O5S

SMILES: CC(C)[C@H](S)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1[C@@]1(N)[C@H]2CC[C@@H]3[C@@H]2CN[C@@H]31)C(N)=O)[C@@H](C)C(N)=O)C(C)C

BIRTHDAY: 2018-12-01T22:29:56.766098
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H37N5O4S2

SMILES: CC(C)[C@@H](S)C(=O)N[C@@H](C(=O)NC(C)(C)S)c1c2cccc1OCCC(=O)Cn1cnc(c1)CCNC2

BIRTHDAY: 2018-12-01T22:29:56.777917
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan