General Information of the Compound
| Compound ID |
CP0306936
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| Compound Name |
4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-m-tolyl-pyran-2-one
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| Structure |
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| Formula |
C21H20O3S
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| Molecular Weight |
352.455
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| Canonical SMILES |
CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1cccc(C)c1
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| InChI |
InChI=1S/C21H20O3S/c1-13(2)16-9-4-5-10-19(16)25-20-17(22)12-18(24-21(20)23)15-8-6-7-14(3)11-15/h4-13,22H,1-3H3
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| InChIKey |
JWHJBCAUIIRKGP-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