General Information of the Compound
| Compound ID |
CP0516894
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| Compound Name |
(E)-N-[[4-[[5-(hydroxymethyl)furan-2-yl]methyl-phenylsulfamoyl]phenyl]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C29H27N3O6S2
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| Molecular Weight |
577.684
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| Canonical SMILES |
COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(CO)o1)c1ccccc1
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| InChI |
InChI=1S/C29H27N3O6S2/c1-37-27-10-6-5-7-21(27)11-18-28(34)31-29(39)30-22-12-16-26(17-13-22)40(35,36)32(23-8-3-2-4-9-23)19-24-14-15-25(20-33)38-24/h2-18,33H,19-20H2,1H3,(H2,30,31,34,39)/b18-11+
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| InChIKey |
WQCBYBHKQRCJPH-WOJGMQOQSA-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