AM7   Click here for help

GtoPdb Ligand ID: 8292

Synonyms: AM 7 | AM-7 | pyrimidone, 22
PDB Ligand
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 0
Rotatable bonds 11
Topological polar surface area 87.94
Molecular weight 610.26
XLogP 5.38
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)c1cnc(n(c1=O)C)Cc1ccccc1
Isomeric SMILES COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)c1cnc(n(c1=O)C)Cc1ccccc1
InChI InChI=1S/C35H35FN4O5/c1-39-34(19-24-7-4-3-5-8-24)38-23-27(35(39)41)25-9-10-31(28(36)20-25)45-30-11-12-37-29-22-33(32(42-2)21-26(29)30)44-16-6-13-40-14-17-43-18-15-40/h3-5,7-12,20-23H,6,13-19H2,1-2H3
InChI Key PEGWVOKOYYAQEV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-methyl-2-(phenylmethyl)pyrimidin-4-one
Synonyms Click here for help
AM 7 | AM-7 | pyrimidone, 22
Database Links Click here for help
ChEMBL Ligand CHEMBL505896
GtoPdb PubChem SID 252166504
PubChem CID 11650194
RCSB PDB Ligand AM7
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SynPHARM 81931 (in complex with MET proto-oncogene, receptor tyrosine kinase)