General Information of the Compound
| Compound ID |
CP0384148
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| Compound Name |
6-(2,6-dichlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxetan-3-yl)pyrido[2,3-d]pyrimidin-5-one
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| Structure |
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| Formula |
C27H26Cl2N6O2
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| Molecular Weight |
537.451
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)C2COC2)cc1
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| InChI |
InChI=1S/C27H26Cl2N6O2/c1-33-9-11-34(12-10-33)18-7-5-17(6-8-18)31-27-30-13-20-25(36)21(24-22(28)3-2-4-23(24)29)14-35(26(20)32-27)19-15-37-16-19/h2-8,13-14,19H,9-12,15-16H2,1H3,(H,30,31,32)
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| InChIKey |
SMXRRJDAWALKLK-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