U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C14H17BrN2O2
Molecular Weight 325.201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SSR-180711

SMILES

BrC1=CC=C(OC(=O)N2CCN3CCC2CC3)C=C1

InChI

InChIKey=RXLOZRCLQMJJLC-UHFFFAOYSA-N
InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2

HIDE SMILES / InChI

Molecular Formula C14H17BrN2O2
Molecular Weight 325.201
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
14.0 nM [Ki]
14.0 nM [Ki]

PubMed

Substance Class Chemical
Record UNII
QF4P1U1666
Record Status Validated (UNII)
Record Version