General Information of the Compound
| Compound ID |
CP0463634
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| Compound Name |
2-Methoxy-4-[2-(3-methyl-isothiazol-5-yl)-vinyl]-phenol
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| Structure |
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| Formula |
C13H13NO2S
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| Molecular Weight |
247.319
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| Canonical SMILES |
COc1cc(\C=C\c2cc(C)ns2)ccc1O
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| InChI |
InChI=1S/C13H13NO2S/c1-9-7-11(17-14-9)5-3-10-4-6-12(15)13(8-10)16-2/h3-8,15H,1-2H3/b5-3+
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| InChIKey |
KXDBQBSFUXZFBZ-HWKANZROSA-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