General Information of the Compound
| Compound ID |
CP0417038
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| Compound Name |
6-(2,6-dichlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-5-one
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| Structure |
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| Formula |
C30H26Cl2N6O
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| Molecular Weight |
557.485
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)-c2ccccc2)cc1
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| InChI |
InChI=1S/C30H26Cl2N6O/c1-36-14-16-37(17-15-36)21-12-10-20(11-13-21)34-30-33-18-23-28(39)24(27-25(31)8-5-9-26(27)32)19-38(29(23)35-30)22-6-3-2-4-7-22/h2-13,18-19H,14-17H2,1H3,(H,33,34,35)
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| InChIKey |
SFDJTZZKIFNVEL-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