U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H8BrNO3
Molecular Weight 306.112
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WAY-200070

SMILES

OC1=CC=C(C=C1)C2=NC3=CC(O)=CC(Br)=C3O2

InChI

InChIKey=BAAILVWEAXFTSF-UHFFFAOYSA-N
InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H

HIDE SMILES / InChI

Molecular Formula C13H8BrNO3
Molecular Weight 306.112
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
2.0 nM [IC50]
Substance Class Chemical
Record UNII
LK94JP5JT7
Record Status Validated (UNII)
Record Version