General Information of the Compound
| Compound ID |
CP0411154
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| Compound Name |
7-hydroxy-3-((pyridin-2-ylthio)methyl)-4-(trifluoromethyl)-2H-chromen-2-one
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| Structure |
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| Formula |
C16H10F3NO3S
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| Molecular Weight |
353.321
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| Canonical SMILES |
Oc1ccc2c(c(CSc3ccccn3)c(=O)oc2c1)C(F)(F)F
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| InChI |
InChI=1S/C16H10F3NO3S/c17-16(18,19)14-10-5-4-9(21)7-12(10)23-15(22)11(14)8-24-13-3-1-2-6-20-13/h1-7,21H,8H2
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| InChIKey |
PLZKAFGORXTHTA-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