General Information of the Compound
| Compound ID |
CP0575058
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| Compound Name |
6-(2,3-dichlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C21H16Cl2N4O3S
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| Molecular Weight |
475.357
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| Canonical SMILES |
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2cccc(Cl)c2Cl)c1=O
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| InChI |
InChI=1S/C21H16Cl2N4O3S/c1-27-19-12(9-16(20(27)28)15-7-4-8-17(22)18(15)23)11-24-21(26-19)25-13-5-3-6-14(10-13)31(2,29)30/h3-11H,1-2H3,(H,24,25,26)
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| InChIKey |
WJDFQVQZUNCBGA-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