BMS-265246   

GtoPdb Ligand ID: 8051

Synonyms: BMS 265246 | BMS265246
Compound class: Synthetic organic
Comment: BMS-265246 is a potent and selective inhibitor of the cyclin-dependent kinases, CDK1 and CDK2 [1], It is 25-fold selective for CDKs 1 and 2 over CDK4. BMS-265246 was a preclinical lead compound.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 67.87
Molecular weight 345.13
XLogP 5.2
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCCOc1c(cnc2c1cn[nH]2)C(=O)c1c(F)cc(cc1F)C
Isomeric SMILES CCCCOc1c(cnc2c1cn[nH]2)C(=O)c1c(F)cc(cc1F)C
InChI InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)
InChI Key SCFMWQIQBVZOQR-UHFFFAOYSA-N

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