Ki-20227   Click here for help

GtoPdb Ligand ID: 5690

Synonyms: Ki 20227 | Ki20227
Compound class: Synthetic organic
Comment: Ki-20227 is an inhibitor of the receptor tyrosine kinase, colony stimulating factor 1 receptor (CSF1R or FMS) [2]. CSF1R inhibitors are considered to have therapeutic potential for the prevention of osteolytic disease associated with bone metastasis and other bone diseases.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 132.07
Molecular weight 480.15
XLogP 2.42
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(ccc1NC(=O)NC(c1nccs1)C)Oc1ccnc2c1cc(OC)c(c2)OC
Isomeric SMILES COc1cc(ccc1NC(=O)NC(c1nccs1)C)Oc1ccnc2c1cc(OC)c(c2)OC
InChI InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29)
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Molecular structure representations generated using Open Babel