General Information of the Compound
| Compound ID |
CP0541472
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| Compound Name |
(E)-N-[[4-(2,3-dihydroxypropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C20H23N3O6S2
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| Molecular Weight |
465.553
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| Canonical SMILES |
COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)NCC(O)CO
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| InChI |
InChI=1S/C20H23N3O6S2/c1-29-18-5-3-2-4-14(18)6-11-19(26)23-20(30)22-15-7-9-17(10-8-15)31(27,28)21-12-16(25)13-24/h2-11,16,21,24-25H,12-13H2,1H3,(H2,22,23,26,30)/b11-6+
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| InChIKey |
ZXBDVALVKCDGJT-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