VEGF receptor 2 kinase inhibitor IV   Click here for help

GtoPdb Ligand ID: 6055

Synonyms: KDR/Flk-1 kinase inhibitor IV | pyrazolo[1,5-a]pyrimidine 3g
Compound class: Synthetic organic
Comment: This is compound 3 in [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 67.66
Molecular weight 307.08
XLogP 3.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1)c1cnc2n(c1)ncc2c1cscc1
Isomeric SMILES COc1ccc(cc1)c1cnc2n(c1)ncc2c1cscc1
InChI InChI=1S/C17H13N3OS/c1-21-15-4-2-12(3-5-15)14-8-18-17-16(9-19-20(17)10-14)13-6-7-22-11-13/h2-11H,1H3
InChI Key HBWLNACPIFKNIP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-(4-methoxyphenyl)-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine
Synonyms Click here for help
KDR/Flk-1 kinase inhibitor IV | pyrazolo[1,5-a]pyrimidine 3g
Database Links Click here for help
CAS Registry No. 216661-57-3
ChEMBL Ligand CHEMBL92461
GtoPdb PubChem SID 178102676
PubChem CID 5329468
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