General Information of the Compound
| Compound ID |
CP0103821
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| Compound Name |
(E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-phenylsulfanylmethyl-phenyl)-acrylamide
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| Structure |
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| Formula |
C18H16N2O3S
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| Molecular Weight |
340.404
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| Canonical SMILES |
COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O
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| InChI |
InChI=1S/C18H16N2O3S/c1-23-16-9-12(7-13(10-19)18(20)22)8-14(17(16)21)11-24-15-5-3-2-4-6-15/h2-9,21H,11H2,1H3,(H2,20,22)/b13-7+
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| InChIKey |
FOGXCBUSKWTDKV-NTUHNPAUSA-N
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| CAS |
107788-00-1
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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