General Information of the Compound
| Compound ID |
CP0507740
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| Compound Name |
4-((1,3,4-thiadiazol-2-ylthio)methyl)-7-hydroxy-2H-chromen-2-one
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| Structure |
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| Formula |
C12H8N2O3S2
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| Molecular Weight |
292.341
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| Canonical SMILES |
Oc1ccc2c(CSc3nncs3)cc(=O)oc2c1
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| InChI |
InChI=1S/C12H8N2O3S2/c15-8-1-2-9-7(3-11(16)17-10(9)4-8)5-18-12-14-13-6-19-12/h1-4,6,15H,5H2
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| InChIKey |
RPGXEUPVDMCBEA-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