General Information of the Compound
| Compound ID |
CP0530861
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| Compound Name |
(E)-N-[[4-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C25H25N3O5S2
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| Molecular Weight |
511.625
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| Canonical SMILES |
COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(CCO)c1ccccc1
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| InChI |
InChI=1S/C25H25N3O5S2/c1-33-23-10-6-5-7-19(23)11-16-24(30)27-25(34)26-20-12-14-22(15-13-20)35(31,32)28(17-18-29)21-8-3-2-4-9-21/h2-16,29H,17-18H2,1H3,(H2,26,27,30,34)/b16-11+
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| InChIKey |
OKJNSIXPKPPYHK-LFIBNONCSA-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