L779450   Click here for help

GtoPdb Ligand ID: 9129

Synonyms: compound 1 [PMID:18346893] | compound 2 [PMID: 16260133] | L-779,450 | L-779450
Compound class: Synthetic organic
Comment: L779450 is a potent ATP competitive inhibitor of RAF kinases [1-2], with potential antineoplastic activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 61.8
Molecular weight 347.08
XLogP 5.1
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Oc1cc(ccc1Cl)c1nc([nH]c1c1ccncc1)c1ccccc1
Isomeric SMILES Oc1cc(ccc1Cl)c1nc([nH]c1c1ccncc1)c1ccccc1
InChI InChI=1S/C20H14ClN3O/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14/h1-12,25H,(H,23,24)
InChI Key WXJLXRNWMLWVFB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol
Synonyms Click here for help
compound 1 [PMID:18346893] | compound 2 [PMID: 16260133] | L-779,450 | L-779450
Database Links Click here for help
BindingDB Ligand 26041
CAS Registry No. 303727-31-3 (source: PubChem)
ChEMBL Ligand CHEMBL373011
GtoPdb PubChem SID 315661214
PubChem CID 9950176
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