VU0092145   Click here for help

GtoPdb Ligand ID: 6229

Synonyms: VU 0092145
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 3
Topological polar surface area 32.34
Molecular weight 342.17
XLogP 5.34
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(cc1)N1C(Nc2c(C1=O)cccc2)C(c1ccccc1)C
Isomeric SMILES Cc1ccc(cc1)N1C(Nc2c(C1=O)cccc2)C(c1ccccc1)C
InChI InChI=1S/C23H22N2O/c1-16-12-14-19(15-13-16)25-22(17(2)18-8-4-3-5-9-18)24-21-11-7-6-10-20(21)23(25)26/h3-15,17,22,24H,1-2H3
InChI Key QZAOSZVJAXUJFE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
Synonyms Click here for help
VU 0092145
Database Links Click here for help
CAS Registry No. 346456-97-1 (source: Scifinder)
ChEMBL Ligand CHEMBL473806
GtoPdb PubChem SID 178102850
PubChem CID 4052597
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