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Chemical structure of ONO-2952

GC63127

ONO-2952

Also known as 1-[(1S)-1-(4-chloro-2-methoxyphenyl)-5-fluorospiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone

ONO-2952 is a potent, selective and orally active translocator protein 18 kDa (TSPO) antagonist with Ki of 0·33-9·30 nM for rat and human TSPO

ChemicalCAS895169-20-7MW398.86FormulaC22H20ClFN2O2
CAS number
895169-20-7
Molecular weight
398.86
Formula
C22H20ClFN2O2
Solubility
DMSO ： 180 mg/mL (451·29 mM; Need ultrasonic)
InChIKey
ZBQMTQGDBFZUBG-NRFANRHFSA-N
Catalogue number
GC63127
Brand
GLPBIO
Computed properties PubChem CID 11524127 · XLogP 4.1 · TPSA 45.3 Ų · H-bond donors 1
XLogP
4.1
TPSA
45.3 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
28

SMILES CC(=O)N1CC2(CC2)C3=C([C@@H]1C4=C(C=C(C=C4)Cl)OC)NC5=C3C(=CC=C5)F

Computed descriptors from PubChem (CID 11524127), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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