VEGF receptor tyrosine kinase inhibitor III   Click here for help

GtoPdb Ligand ID: 6057

Synonyms: K00589a | KRN 633 | KRN-633 | KRN633
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 2
Rotatable bonds 9
Topological polar surface area 94.6
Molecular weight 416.13
XLogP 3.15
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCNC(=O)Nc1ccc(cc1Cl)Oc1ncnc2c1cc(OC)c(c2)OC
Isomeric SMILES CCCNC(=O)Nc1ccc(cc1Cl)Oc1ncnc2c1cc(OC)c(c2)OC
InChI InChI=1S/C20H21ClN4O4/c1-4-7-22-20(26)25-15-6-5-12(8-14(15)21)29-19-13-9-17(27-2)18(28-3)10-16(13)23-11-24-19/h5-6,8-11H,4,7H2,1-3H3,(H2,22,25,26)
InChI Key VPBYZLCHOKSGRX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-{2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)oxy]phenyl}-3-propylurea
Synonyms Click here for help
K00589a | KRN 633 | KRN-633 | KRN633
Database Links Click here for help
CAS Registry No. 286370-15-8
ChEMBL Ligand CHEMBL406381
GtoPdb PubChem SID 178102678
PubChem CID 9549295
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