General Information of the Compound
| Compound ID |
CP0227682
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| Compound Name |
2-(4-Hydroxy-3-methoxy-5-phenylsulfanylmethyl-benzylidene)-malononitrile
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| Structure |
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| Formula |
C18H14N2O2S
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| Molecular Weight |
322.389
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| Canonical SMILES |
COc1cc(C=C(C#N)C#N)cc(CSc2ccccc2)c1O
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| InChI |
InChI=1S/C18H14N2O2S/c1-22-17-9-13(7-14(10-19)11-20)8-15(18(17)21)12-23-16-5-3-2-4-6-16/h2-9,21H,12H2,1H3
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| InChIKey |
NEILEDNOTIXAIO-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