General Information of the Compound
| Compound ID |
CP0867357
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| Compound Name |
SID103060265
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| Structure |
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| Formula |
C24H22N2O5S
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| Molecular Weight |
450.516
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| Canonical SMILES |
COc1ccc(-c2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)c3occc23)c(C)c1
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| InChI |
InChI=1S/C24H22N2O5S/c1-15-13-18(30-2)7-8-19(15)20-9-10-22(23-21(20)11-12-31-23)24(27)25-16-5-4-6-17(14-16)26-32(3,28)29/h4-14,26H,1-3H3,(H,25,27)
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| InChIKey |
JKABBEPOTQNSQY-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