General Information of the Compound
| Compound ID |
CP0156094
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| Compound Name |
6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-8-[[(4S)-3,3-difluoropiperidin-4-yl]methyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C26H25ClF2N6O
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| Molecular Weight |
510.976
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| Canonical SMILES |
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@@H]3CCNCC3(F)F)c2n1
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| InChI |
InChI=1S/C26H25ClF2N6O/c1-15-4-3-5-22(33-15)16-6-7-19(21(27)11-16)20-10-17-12-32-25(30-2)34-23(17)35(24(20)36)13-18-8-9-31-14-26(18,28)29/h3-7,10-12,18,31H,8-9,13-14H2,1-2H3,(H,30,32,34)/t18-/m0/s1
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| InChIKey |
ZVGQZSQDTLALCO-SFHVURJKSA-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