General Information of the Compound
| Compound ID |
CP0472537
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| Compound Name |
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-[(2-oxopiperidin-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C26H26ClN7O2
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| Molecular Weight |
503.994
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| Canonical SMILES |
CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(CC3CCNC(=O)C3)c2n1
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| InChI |
InChI=1S/C26H26ClN7O2/c1-3-29-26-31-12-18-9-20(19-5-4-17(10-21(19)27)22-13-28-11-15(2)32-22)25(36)34(24(18)33-26)14-16-6-7-30-23(35)8-16/h4-5,9-13,16H,3,6-8,14H2,1-2H3,(H,30,35)(H,29,31,33)
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| InChIKey |
GYMFXAFMBGPIFA-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