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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H14BrN3O
Molecular Weight 356.217
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of WP-1066

SMILES

C[C@H](NC(=O)C(=C\C1=NC(Br)=CC=C1)\C#N)C2=CC=CC=C2

InChI

InChIKey=VFUAJMPDXIRPKO-LQELWAHVSA-N
InChI=1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H14BrN3O
Molecular Weight 356.217
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:15:10 UTC 2023
Edited
by admin
on Sat Dec 16 01:15:10 UTC 2023
Record UNII
63V8AIE65T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WP-1066
Code English
WP1066
Code English
WP 1066
Code English
2-PROPENAMIDE, 3-(6-BROMO-2-PYRIDINYL)-2-CYANO-N-((1S)-1-PHENYLETHYL)-, (2E)-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 671018
Created by admin on Sat Dec 16 01:15:10 UTC 2023 , Edited by admin on Sat Dec 16 01:15:10 UTC 2023
Code System Code Type Description
FDA UNII
63V8AIE65T
Created by admin on Sat Dec 16 01:15:10 UTC 2023 , Edited by admin on Sat Dec 16 01:15:10 UTC 2023
PRIMARY
DRUG BANK
DB12679
Created by admin on Sat Dec 16 01:15:10 UTC 2023 , Edited by admin on Sat Dec 16 01:15:10 UTC 2023
PRIMARY
PUBCHEM
11210478
Created by admin on Sat Dec 16 01:15:10 UTC 2023 , Edited by admin on Sat Dec 16 01:15:10 UTC 2023
PRIMARY
NCI_THESAURUS
C111042
Created by admin on Sat Dec 16 01:15:10 UTC 2023 , Edited by admin on Sat Dec 16 01:15:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID50235007
Created by admin on Sat Dec 16 01:15:10 UTC 2023 , Edited by admin on Sat Dec 16 01:15:10 UTC 2023
PRIMARY
CAS
857064-38-1
Created by admin on Sat Dec 16 01:15:10 UTC 2023 , Edited by admin on Sat Dec 16 01:15:10 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY