General Information of the Compound
| Compound ID |
CP0110280
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| Compound Name |
(E)-3-(3-Benzylsulfanylmethyl-4-hydroxy-5-methoxy-phenyl)-2-cyano-acrylamide
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| Structure |
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| Formula |
C19H18N2O3S
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| Molecular Weight |
354.431
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| Canonical SMILES |
COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2)c1O
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| InChI |
InChI=1S/C19H18N2O3S/c1-24-17-9-14(7-15(10-20)19(21)23)8-16(18(17)22)12-25-11-13-5-3-2-4-6-13/h2-9,22H,11-12H2,1H3,(H2,21,23)/b15-7+
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| InChIKey |
KQOKTNOLEYYOGF-VIZOYTHASA-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