General Information of the Compound
| Compound ID |
CP0524115
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| Compound Name |
4-chloro-N-[3-(6-methyl-1,3-dioxo-2-propan-2-ylpyrrolo[3,4-c]pyridin-4-yl)sulfanylphenyl]benzenesulfonamide
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| Structure |
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| Formula |
C23H20ClN3O4S2
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| Molecular Weight |
502.017
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| Canonical SMILES |
CC(C)N1C(=O)c2cc(C)nc(Sc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2C1=O
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| InChI |
InChI=1S/C23H20ClN3O4S2/c1-13(2)27-22(28)19-11-14(3)25-21(20(19)23(27)29)32-17-6-4-5-16(12-17)26-33(30,31)18-9-7-15(24)8-10-18/h4-13,26H,1-3H3
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| InChIKey |
RIZKCWAKTJGVKW-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