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Chemical structure of I-BET-762

GC17073

I-BET-762

Also known as 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide

I-BET-762 (I-BET762; GSK525762) is a BET bromodomain inhibitor with IC50 of 32·5-42·5 nM

ChemicalCAS1260907-17-2MW423.9FormulaC22H22ClN5O2
CAS number
1260907-17-2
Molecular weight
423.9
Formula
C22H22ClN5O2
Solubility
≥ 21·195mg/mL in DMSO
InChIKey
AAAQFGUYHFJNHI-SFHVURJKSA-N
Catalogue number
GC17073
Brand
GLPBIO
Computed properties PubChem CID 46943432 · XLogP 2.9 · TPSA 81.4 Ų · H-bond donors 1
XLogP
2.9
TPSA
81.4 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30

SMILES CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C

Computed descriptors from PubChem (CID 46943432), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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