General Information of the Compound
| Compound ID |
CP0452605
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| Compound Name |
7-hydroxy-4-((1-methyl-1H-imidazol-2-ylthio)methyl)-2H-chromen-2-one
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| Structure |
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| Formula |
C14H12N2O3S
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| Molecular Weight |
288.328
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| Canonical SMILES |
Cn1ccnc1SCc1cc(=O)oc2cc(O)ccc12
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| InChI |
InChI=1S/C14H12N2O3S/c1-16-5-4-15-14(16)20-8-9-6-13(18)19-12-7-10(17)2-3-11(9)12/h2-7,17H,8H2,1H3
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| InChIKey |
KRXYZKXFKOLZDV-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