compound 27 [PMID: 21123062]   Click here for help

GtoPdb Ligand ID: 8210

Compound class: Synthetic organic
Comment: Compound 27 is reported in a medicinal chemistry study to identify novel c-MET (hepatocyte growth factor receptor) inhibitors [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 99.25
Molecular weight 510.19
XLogP 5
No. Lipinski's rules broken 0
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Canonical SMILES CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)N(CC)C(=O)CCC2(C)C)F
Isomeric SMILES CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)N(CC)C(=O)CCC2(C)C)F
InChI InChI=1S/C26H28ClFN6O2/c1-5-34-20-13-15(9-10-17(20)26(2,3)12-11-21(34)35)31-25-30-14-18(27)23(33-25)32-22-16(24(36)29-4)7-6-8-19(22)28/h6-10,13-14H,5,11-12H2,1-4H3,(H,29,36)(H2,30,31,32,33)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
BindingDB Ligand 50334085
ChEMBL Ligand CHEMBL1644812
GtoPdb PubChem SID 249565890
PubChem CID 50942314
Search Google for chemical match using the InChIKey KHBUKOVUBUJCGM-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey KHBUKOVUBUJCGM-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KHBUKOVUBUJCGM-UHFFFAOYSA-N