General Information of the Compound
| Compound ID |
CP0816037
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| Compound Name |
SID14738998
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| Structure |
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| Formula |
C24H25ClN2O4S
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| Molecular Weight |
472.994
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| Canonical SMILES |
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1
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| InChI |
InChI=1S/C24H25ClN2O4S/c1-18-8-13-22(31-2)23(14-18)32(29,30)27(16-20-6-4-3-5-7-20)17-24(28)26-15-19-9-11-21(25)12-10-19/h3-14H,15-17H2,1-2H3,(H,26,28)
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| InChIKey |
QOAJMQDSILONNN-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