General Information of the Compound
| Compound ID |
CP0727884
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| Compound Name |
SID26661687
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| Structure |
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| Formula |
C18H14N2O3S
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| Molecular Weight |
338.388
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| Canonical SMILES |
COc1ccc(-c2csc(NC3OC(=O)c4ccccc43)n2)cc1
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| InChI |
InChI=1S/C18H14N2O3S/c1-22-12-8-6-11(7-9-12)15-10-24-18(19-15)20-16-13-4-2-3-5-14(13)17(21)23-16/h2-10,16H,1H3,(H,19,20)
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| InChIKey |
AJHIXYKYCQQHOB-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