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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H21NO
Molecular Weight 327.4189
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JHW-015

SMILES

CCCN1C2=CC=CC=C2C(C(=O)C3=CC=CC4=C3C=CC=C4)=C1C

InChI

InChIKey=LJSBBBWQTLXQEN-UHFFFAOYSA-N
InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C23H21NO
Molecular Weight 327.4189
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
634.0 nM [EC50]
2.64 µM [EC50]
383.0 nM [Ki]
Substance Class Chemical
Record UNII
W4FL204T10
Record Status Validated (UNII)
Record Version