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Chemical structure of CBP/P300 bromodomain inhibitor-3

GC60677

CBP/P300 bromodomain inhibitor-3

Also known as trans-(1S,3S)-3-[(7S)-2-benzyl-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid

CBP/P300 bromodomain inhibitor-3 is a potent inhibitor of the CBP/P300 family of bromodomains· CBP/P300 bromodomain inhibitor-3 inhibits CBP (IC50=0·01-0·1 μμ) and BRD4 (IC50=1-1000 μμ) activity

ChemicalCAS2304416-91-7MW461.55FormulaC27H31N3O4
CAS number
2304416-91-7
Molecular weight
461.55
Formula
C27H31N3O4
Solubility
DMSO: 200 mg/mL (433·32 mM)
InChIKey
ABNLUJMIBRFYRV-IHPCNDPISA-N
Catalogue number
GC60677
Brand
GLPBIO
Computed properties PubChem CID 142545683 · XLogP 4.7 · TPSA 84.7 Ų · H-bond donors 1
XLogP
4.7
TPSA
84.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34

SMILES C[C@H]1CCC2=C(N1C(=O)OC)C=CC3=C2N=C(N3[C@H]4CCC[C@@H](C4)C(=O)O)CC5=CC=CC=C5

Computed descriptors from PubChem (CID 142545683), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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