CEP-11981   Click here for help

GtoPdb Ligand ID: 8189

Synonyms: CEP 11981 | CEP11981 | compound 11b [PMID 22148921]
Compound class: Synthetic organic
Comment: CEP-11981 is reported as a novel oncology therapeutic agent targeting the pro-angiogenic actions of receptor tyrosine kinases such as the VEGFRs, FGFR1 and TIE-2 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 89.66
Molecular weight 477.23
XLogP 4.18
No. Lipinski's rules broken 0
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Canonical SMILES CC(Cn1c2ccc(cc2c2c1c1CCc3c(c1c1c2CNC1=O)cn(n3)C)Nc1ncccn1)C
Isomeric SMILES CC(Cn1c2ccc(cc2c2c1c1CCc3c(c1c1c2CNC1=O)cn(n3)C)Nc1ncccn1)C
InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
CEP 11981 | CEP11981 | compound 11b [PMID 22148921]
Database Links Click here for help
BindingDB Ligand 50379186
ChEMBL Ligand CHEMBL2010872
GtoPdb PubChem SID 249565869
PubChem CID 11751922
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UniChem Connectivity Search for chemical match using the InChIKey AEULIVPVIDOLIN-UHFFFAOYSA-N