PDGF receptor tyrosine kinase inhibitor IV   Click here for help

GtoPdb Ligand ID: 6020

Synonyms: JNJ-10198409
Compound class: Synthetic organic
Comment: This is compound 17 in [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 59.17
Molecular weight 325.12
XLogP 3.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2c(cc1OC)Cc1c2[nH]nc1Nc1cccc(c1)F
Isomeric SMILES COc1cc2c(cc1OC)Cc1c2[nH]nc1Nc1cccc(c1)F
InChI InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
InChI Key ZDNURMVOKAERHZ-UHFFFAOYSA-N