General Information of the Compound
| Compound ID |
CP0894862
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| Compound Name |
SID49725329
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| Structure |
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| Formula |
C16H18N2O5S2
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| Molecular Weight |
382.463
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| Canonical SMILES |
CCOC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccccc2)nc1C
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| InChI |
InChI=1S/C16H18N2O5S2/c1-3-23-15(20)14-11(2)17-16(24-14)18-13(19)9-10-25(21,22)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
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| InChIKey |
LOVWQMJIXIBIOQ-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3