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Chemical structure of I-CBP112

GC34078

I-CBP112

Also known as 1-[7-(3,4-dimethoxyphenyl)-9-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one

I-CBP112 is a specific and potent acetyl-lysine competitive protein-protein interaction inhibitor, that inhibits the CBP/p300 bromodomains, enhances acetylation by p300

ChemicalCAS1640282-31-0MW468.59FormulaC27H36N2O5
CAS number
1640282-31-0
Molecular weight
468.59
Formula
C27H36N2O5
Solubility
DMSO : ≥ 32 mg/mL (68·29 mM)
InChIKey
YKNAKDFZAWQEEO-IBGZPJMESA-N
Catalogue number
GC34078
Brand
GLPBIO
Computed properties PubChem CID 90488984 · XLogP 3.8 · TPSA 60.5 Ų · H-bond donors 0
XLogP
3.8
TPSA
60.5 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
34

SMILES CCC(=O)N1CCOC2=C(C1)C=C(C=C2OC[C@H]3CCCN(C3)C)C4=CC(=C(C=C4)OC)OC

Computed descriptors from PubChem (CID 90488984), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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