General Information of the Compound
| Compound ID |
CP0530860
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| Compound Name |
(E)-N-[[4-(2-hydroxyethylsulfamoyl)phenyl]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C19H21N3O5S2
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| Molecular Weight |
435.527
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| Canonical SMILES |
COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)NCCO
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| InChI |
InChI=1S/C19H21N3O5S2/c1-27-17-5-3-2-4-14(17)6-11-18(24)22-19(28)21-15-7-9-16(10-8-15)29(25,26)20-12-13-23/h2-11,20,23H,12-13H2,1H3,(H2,21,22,24,28)/b11-6+
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| InChIKey |
SMUQKROJYXFCTJ-IZZDOVSWSA-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