General Information of the Compound
| Compound ID |
CP0414917
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| Compound Name |
4-chloro-N-[3-(2,6-dimethyl-1,3-dioxopyrrolo[3,4-c]pyridin-4-yl)oxyphenyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H16ClN3O5S
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| Molecular Weight |
457.895
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| Canonical SMILES |
CN1C(=O)c2cc(C)nc(Oc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2C1=O
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| InChI |
InChI=1S/C21H16ClN3O5S/c1-12-10-17-18(21(27)25(2)20(17)26)19(23-12)30-15-5-3-4-14(11-15)24-31(28,29)16-8-6-13(22)7-9-16/h3-11,24H,1-2H3
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| InChIKey |
BUOGRCHUCDFTJK-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