General Information of the Compound
| Compound ID |
CP0510417
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| Compound Name |
7-hydroxy-4-((pyridin-4-ylthio)methyl)-2H-chromen-2-one
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| Structure |
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| Formula |
C15H11NO3S
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| Molecular Weight |
285.324
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| Canonical SMILES |
Oc1ccc2c(CSc3ccncc3)cc(=O)oc2c1
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| InChI |
InChI=1S/C15H11NO3S/c17-11-1-2-13-10(7-15(18)19-14(13)8-11)9-20-12-3-5-16-6-4-12/h1-8,17H,9H2
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| InChIKey |
WXKWBGSRTPEBKC-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