General Information of the Compound
| Compound ID |
CP0208795
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| Compound Name |
MLS000418668
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| Structure |
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| Formula |
C24H21N3O4S2
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| Molecular Weight |
479.583
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)n1
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| InChI |
InChI=1S/C24H21N3O4S2/c1-16-7-13-19(14-8-16)33(29,30)27-21-6-4-3-5-20(21)23(28)26-24-25-22(15-32-24)17-9-11-18(31-2)12-10-17/h3-15,27H,1-2H3,(H,25,26,28)
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| InChIKey |
VJHUYDLSNDDSJO-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