PKCbeta inhibitor   Click here for help

GtoPdb Ligand ID: 6025

Synonyms: K00248
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 80.95
Molecular weight 411.17
XLogP 3.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1NC(=O)C(=C1c1cn(c2c1cccc2)CCCn1cncc1)Nc1ccccc1
Isomeric SMILES O=C1NC(=O)C(=C1c1cn(c2c1cccc2)CCCn1cncc1)Nc1ccccc1
InChI InChI=1S/C24H21N5O2/c30-23-21(22(24(31)27-23)26-17-7-2-1-3-8-17)19-15-29(20-10-5-4-9-18(19)20)13-6-12-28-14-11-25-16-28/h1-5,7-11,14-16H,6,12-13H2,(H2,26,27,30,31)
InChI Key KIWODJBCHRADND-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-{1-[3-(1H-imidazol-1-yl)propyl]-1H-indol-3-yl}-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
Synonyms Click here for help
K00248
Database Links Click here for help
CAS Registry No. 257879-35-9
ChEMBL Ligand CHEMBL366266
GtoPdb PubChem SID 178102647
PubChem CID 6419755
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