General Information of the Compound
| Compound ID |
CP0570124
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| Compound Name |
6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C33H33Cl2N5O4S
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| Molecular Weight |
666.631
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| Canonical SMILES |
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4cccc(c4)S(C)(=O)=O)c3n2)cc1
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| InChI |
InChI=1S/C33H33Cl2N5O4S/c1-4-39(5-2)16-17-44-25-14-12-24(13-15-25)37-33-36-20-23-19-27(30-28(34)10-7-11-29(30)35)32(41)40(31(23)38-33)21-22-8-6-9-26(18-22)45(3,42)43/h6-15,18-20H,4-5,16-17,21H2,1-3H3,(H,36,37,38)
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| InChIKey |
QXZQWTRSWYLAFO-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