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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18ClF3N4O3
Molecular Weight 442.819
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of V-116517

SMILES

OC[C@@H](O)C1=CN=C(C(Cl)=C1)C2=CCN(CC2)C(=O)NC3=CC=C(C=N3)C(F)(F)F

InChI

InChIKey=BMWVHVOIXZOJTJ-OAHLLOKOSA-N
InChI=1S/C19H18ClF3N4O3/c20-14-7-12(15(29)10-28)8-25-17(14)11-3-5-27(6-4-11)18(30)26-16-2-1-13(9-24-16)19(21,22)23/h1-3,7-9,15,28-29H,4-6,10H2,(H,24,26,30)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H18ClF3N4O3
Molecular Weight 442.819
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:41:42 UTC 2023
Edited
by admin
on Sat Dec 16 14:41:42 UTC 2023
Record UNII
TBJ73RQT8F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
V-116517
Common Name English
V116517
Common Name English
3-CHLORO-5-((1S)-1,2-DIHYDROXYETHYL)-3',6'-DIHYDRO-N-(5-(TRIFLUOROMETHYL)-2-PYRIDINYL)(2,4'-BIPYRIDINE)-1'(2'H)-CARBOXAMIDE
Common Name English
(2,4'-BIPYRIDINE)-1'(2'H)-CARBOXAMIDE, 3-CHLORO-5-((1S)-1,2-DIHYDROXYETHYL)-3',6'-DIHYDRO-N-(5-(TRIFLUOROMETHYL)-2-PYRIDINYL)-
Systematic Name English
Code System Code Type Description
CAS
1073616-61-1
Created by admin on Sat Dec 16 14:41:42 UTC 2023 , Edited by admin on Sat Dec 16 14:41:42 UTC 2023
PRIMARY
FDA UNII
TBJ73RQT8F
Created by admin on Sat Dec 16 14:41:42 UTC 2023 , Edited by admin on Sat Dec 16 14:41:42 UTC 2023
PRIMARY
PUBCHEM
57770545
Created by admin on Sat Dec 16 14:41:42 UTC 2023 , Edited by admin on Sat Dec 16 14:41:42 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
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ACTIVE MOIETY