General Information of the Compound
| Compound ID |
CP0809495
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| Compound Name |
SID24791749
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| Structure |
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| Formula |
C19H17ClN2O4S2
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| Molecular Weight |
436.942
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| Canonical SMILES |
COc1ccc(C)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
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| InChI |
InChI=1S/C19H17ClN2O4S2/c1-12-7-8-16(26-2)15(11-12)21-19(23)13-5-3-4-6-14(13)22-28(24,25)18-10-9-17(20)27-18/h3-11,22H,1-2H3,(H,21,23)
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| InChIKey |
LMBAUGFGWDFXIE-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