DNA-PK inhibitor III   Click here for help

GtoPdb Ligand ID: 5960

Synonyms: IC86621
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 49.77
Molecular weight 221.11
XLogP 1.85
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)c1ccc(cc1O)N1CCOCC1
Isomeric SMILES CC(=O)c1ccc(cc1O)N1CCOCC1
InChI InChI=1S/C12H15NO3/c1-9(14)11-3-2-10(8-12(11)15)13-4-6-16-7-5-13/h2-3,8,15H,4-7H2,1H3
InChI Key YHKSBKQXCWHTQL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[2-hydroxy-4-(morpholin-4-yl)phenyl]ethan-1-one
Synonyms Click here for help
IC86621
Database Links Click here for help
CAS Registry No. 404009-40-1
ChEMBL Ligand CHEMBL1317546
GtoPdb PubChem SID 178102583
PubChem CID 9859309
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