General Information of the Compound
| Compound ID |
CP0512821
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| Compound Name |
(E)-3-(2-methoxyphenyl)-N-[[4-[phenyl(pyridin-4-ylmethyl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
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| Structure |
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| Formula |
C29H26N4O4S2
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| Molecular Weight |
558.685
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| Canonical SMILES |
COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccncc1)c1ccccc1
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| InChI |
InChI=1S/C29H26N4O4S2/c1-37-27-10-6-5-7-23(27)11-16-28(34)32-29(38)31-24-12-14-26(15-13-24)39(35,36)33(25-8-3-2-4-9-25)21-22-17-19-30-20-18-22/h2-20H,21H2,1H3,(H2,31,32,34,38)/b16-11+
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| InChIKey |
ACIOQXXCBQGBHE-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