General Information of the Compound
| Compound ID |
CP0249469
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| Compound Name |
MLS000065286
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| Structure |
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| Formula |
C15H17NO4S2
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| Molecular Weight |
339.438
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| Canonical SMILES |
COc1ccc(OC)c(NS(=O)(=O)c2ccc(SC)cc2)c1
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| InChI |
InChI=1S/C15H17NO4S2/c1-19-11-4-9-15(20-2)14(10-11)16-22(17,18)13-7-5-12(21-3)6-8-13/h4-10,16H,1-3H3
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| InChIKey |
KHKINSFQHMMKAG-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: PT01214, Tyrosine-protein kinase JAK2