General Information of the Compound
| Compound ID |
CP0466066
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| Compound Name |
2,6-Dimethoxy-4-[2-(3-methyl-isothiazol-5-yl)-vinyl]-phenol
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| Structure |
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| Formula |
C14H15NO3S
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| Molecular Weight |
277.345
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| Canonical SMILES |
COc1cc(\C=C\c2cc(C)ns2)cc(OC)c1O
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| InChI |
InChI=1S/C14H15NO3S/c1-9-6-11(19-15-9)5-4-10-7-12(17-2)14(16)13(8-10)18-3/h4-8,16H,1-3H3/b5-4+
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| InChIKey |
DDIYJTMTWYDVHR-SNAWJCMRSA-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