General Information of the Compound
| Compound ID |
CP0558995
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| Compound Name |
(E)-3-(2-methoxyphenyl)-N-[[4-[methyl(pyridin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
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| Structure |
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| Formula |
C23H22N4O4S2
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| Molecular Weight |
482.587
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| Canonical SMILES |
COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccncc1
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| InChI |
InChI=1S/C23H22N4O4S2/c1-27(19-13-15-24-16-14-19)33(29,30)20-10-8-18(9-11-20)25-23(32)26-22(28)12-7-17-5-3-4-6-21(17)31-2/h3-16H,1-2H3,(H2,25,26,28,32)/b12-7+
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| InChIKey |
TZPFJPXVRNHRIM-KPKJPENVSA-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