General Information of the Compound
| Compound ID |
CP0090236
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| Compound Name |
6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-8-(5,9-dioxa-2-azaspiro[3.5]nonan-7-ylmethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C27H27ClN6O3
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| Molecular Weight |
519.005
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| Canonical SMILES |
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(CC3COC4(CNC4)OC3)c2n1
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| InChI |
InChI=1S/C27H27ClN6O3/c1-16-4-3-5-23(32-16)18-6-7-20(22(28)9-18)21-8-19-10-31-26(29-2)33-24(19)34(25(21)35)11-17-12-36-27(37-13-17)14-30-15-27/h3-10,17,30H,11-15H2,1-2H3,(H,29,31,33)
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| InChIKey |
UFUJWBLMFIYWJW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound