cediranib   Click here for help

GtoPdb Ligand ID: 5664

Synonyms: AZD 2171 | AZD2171 | ZD 2171
Compound class: Synthetic organic
Comment: Cediranib is a highly potent VEGFR2 (KDR) inhibitor [2]. This compound was in the AstraZeneca/NCATS repurposing list from 2012.
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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 8
Topological polar surface area 72.5
Molecular weight 450.21
XLogP 4.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2c(ncnc2cc1OCCCN1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C
Isomeric SMILES COc1cc2c(ncnc2cc1OCCCN1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C
InChI InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3
InChI Key XXJWYDDUDKYVKI-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel