General Information of the Compound
| Compound ID |
CP0401313
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| Compound Name |
3-[(4-chlorophenyl)sulfonyl-methyl-amino]-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C21H21ClN2O6S2
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| Molecular Weight |
496.994
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)c2ccc(OC)c(c2)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C21H21ClN2O6S2/c1-24(32(27,28)18-10-4-15(22)5-11-18)20-14-19(12-13-21(20)30-3)31(25,26)23-16-6-8-17(29-2)9-7-16/h4-14,23H,1-3H3
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| InChIKey |
JHUZXKHQDVCOQQ-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3