LY456236   Click here for help

GtoPdb Ligand ID: 3346

Synonyms: LY 456236 | LY-456236
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 4
Topological polar surface area 56.27
Molecular weight 281.12
XLogP 2.85
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1)Nc1ncnc2c1cc(OC)cc2
Isomeric SMILES COc1ccc(cc1)Nc1ncnc2c1cc(OC)cc2
InChI InChI=1S/C16H15N3O2/c1-20-12-5-3-11(4-6-12)19-16-14-9-13(21-2)7-8-15(14)17-10-18-16/h3-10H,1-2H3,(H,17,18,19)
InChI Key XPJOMFBGKIABQW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine
Synonyms Click here for help
LY 456236 | LY-456236
Database Links Click here for help
CAS Registry No. 338738-57-1 (source: Scifinder)
ChEMBL Ligand CHEMBL254575
GtoPdb PubChem SID 178100376
PubChem CID 9926999
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