General Information of the Compound
| Compound ID |
CP0231644
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| Compound Name |
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-(piperidin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C26H28ClN7O
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| Molecular Weight |
490.011
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| Canonical SMILES |
CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(CC3CCNCC3)c2n1
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| InChI |
InChI=1S/C26H28ClN7O/c1-3-30-26-31-13-19-10-21(25(35)34(24(19)33-26)15-17-6-8-28-9-7-17)20-5-4-18(11-22(20)27)23-14-29-12-16(2)32-23/h4-5,10-14,17,28H,3,6-9,15H2,1-2H3,(H,30,31,33)
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| InChIKey |
GMQHFTHVKUIAEO-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