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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H14N2O
Molecular Weight 166.2203
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABT-418

SMILES

CN1CCC[C@H]1C2=CC(C)=NO2

InChI

InChIKey=ILLGYRJAYAAAEW-QMMMGPOBSA-N
InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H14N2O
Molecular Weight 166.2203
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
6.0 µM [EC50]
4.2 nM [Ki]
Substance Class Chemical
Record UNII
B9I6MZL7BW
Record Status Validated (UNII)
Record Version