MS7972   Click here for help

GtoPdb Ligand ID: 7508

PDB Ligand
Compound class: Synthetic organic
Comment: This compound blocks K382-acetylated p53 association with the bromodomain of CBP [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 39.07
Molecular weight 227.09
XLogP 1.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1CCCc2c1n(C(=O)C)c1c2cccc1
Isomeric SMILES O=C1CCCc2c1n(C(=O)C)c1c2cccc1
InChI InChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3
InChI Key MIGJEXKBUJPKJF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
9-acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
Database Links Click here for help
ChEMBL Ligand CHEMBL1236441
DrugBank Ligand DB08655
GtoPdb PubChem SID 187051810
PubChem CID 853608
RCSB PDB Ligand TTR
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