General Information of the Compound
| Compound ID |
CP0184889
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| Compound Name |
(E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl)-2-cyano-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 |
NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N
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| InChI |
InChI=1S/C18H16N2O3S/c19-9-14(18(20)23)6-13-7-15(17(22)16(21)8-13)11-24-10-12-4-2-1-3-5-12/h1-8,21-22H,10-11H2,(H2,20,23)/b14-6+
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| InChIKey |
JPNQHDIBDBJKGZ-MKMNVTDBSA-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