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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18ClN3O
Molecular Weight 327.808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-823778 FREE BASE

SMILES

CC(C)(O)C1=CC=CN2C1=NN=C2C3(CC3)C4=CC=C(Cl)C=C4

InChI

InChIKey=PTIFVLOBVCIMKL-UHFFFAOYSA-N
InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H18ClN3O
Molecular Weight 327.808
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Record UNII
8JYO8VTR11
Record Status Validated (UNII)
Record Version