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Chemical structure of BMS 195614

GC11504

BMS 195614

Also known as 4-[(5,5-dimethyl-8-quinolin-3-yl-6H-naphthalene-2-carbonyl)amino]benzoic acid

BMS 195614 (BMS 614) is a neutral RARα-selective antagonist with a Ki of 2·5 nM

ChemicalCAS182135-66-6MW448.51FormulaC29H24N2O3
CAS number
182135-66-6
Molecular weight
448.51
Formula
C29H24N2O3
Solubility
DMF: 30 mg/ml;DMSO: 30 mg/ml;DMSO:PBS (pH 7·2) (1:1): 0·5 mg/ml
InChIKey
WGLMBRZXZDAQHP-UHFFFAOYSA-N
Catalogue number
GC11504
Brand
GLPBIO
Computed properties PubChem CID 445091 · XLogP 5.7 · TPSA 79.3 Ų · H-bond donors 2
XLogP
5.7
TPSA
79.3 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
34

SMILES CC1(CC=C(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC5=CC=CC=C5N=C4)C

Computed descriptors from PubChem (CID 445091), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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