General Information of the Compound
| Compound ID |
CP0040260
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| Compound Name |
(E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide
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| Structure |
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| Formula |
C19H17ClN2O3S
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| Molecular Weight |
388.876
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| Canonical SMILES |
COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O
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| InChI |
InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+
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| InChIKey |
SOENYCXOSGATJG-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