General Information of the Compound
| Compound ID |
CP0396542
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| Compound Name |
(E)-N-[[4-[(3-hydroxyphenyl)methyl-phenylsulfamoyl]phenyl]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C30H27N3O5S2
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| Molecular Weight |
573.696
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| Canonical SMILES |
COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1cccc(O)c1)c1ccccc1
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| InChI |
InChI=1S/C30H27N3O5S2/c1-38-28-13-6-5-9-23(28)14-19-29(35)32-30(39)31-24-15-17-27(18-16-24)40(36,37)33(25-10-3-2-4-11-25)21-22-8-7-12-26(34)20-22/h2-20,34H,21H2,1H3,(H2,31,32,35,39)/b19-14+
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| InChIKey |
JUBWTOZWHUFTML-XMHGGMMESA-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