General Information of the Compound
| Compound ID |
CP0741895
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| Compound Name |
SID22410259
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| Structure |
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| Formula |
C22H22ClN3O6S3
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| Molecular Weight |
556.087
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C22H22ClN3O6S3/c1-15-6-7-16(14-19(15)35(30,31)26-10-12-32-13-11-26)24-22(27)17-4-2-3-5-18(17)25-34(28,29)21-9-8-20(23)33-21/h2-9,14,25H,10-13H2,1H3,(H,24,27)
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| InChIKey |
FAFIQMQIJLEIEB-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