General Information of the Compound
| Compound ID |
CP0226712
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| Compound Name |
2-[4-Hydroxy-3-methoxy-5-(toluene-4-sulfonylmethyl)-benzylidene]-malononitrile
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| Structure |
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| Formula |
C19H16N2O4S
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| Molecular Weight |
368.414
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| Canonical SMILES |
COc1cc(C=C(C#N)C#N)cc(CS(=O)(=O)c2ccc(C)cc2)c1O
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| InChI |
InChI=1S/C19H16N2O4S/c1-13-3-5-17(6-4-13)26(23,24)12-16-8-14(7-15(10-20)11-21)9-18(25-2)19(16)22/h3-9,22H,12H2,1-2H3
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| InChIKey |
OHHGMKTWWGWUJB-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