General Information of the Compound
| Compound ID |
CP0574747
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| Compound Name |
8-cyclopropyl-6-(2,6-dichlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one
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| Structure |
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| Formula |
C27H26Cl2N6O
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| Molecular Weight |
521.452
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)C2CC2)cc1
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| InChI |
InChI=1S/C27H26Cl2N6O/c1-33-11-13-34(14-12-33)18-7-5-17(6-8-18)31-27-30-15-20-25(36)21(24-22(28)3-2-4-23(24)29)16-35(19-9-10-19)26(20)32-27/h2-8,15-16,19H,9-14H2,1H3,(H,30,31,32)
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| InChIKey |
PUGODERXIRVRTM-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