General Information of the Compound
| Compound ID |
CP0468745
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| Compound Name |
[4-[3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]imidazol-4-yl]phenyl] 3-cyanobenzenesulfonate
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| Structure |
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| Formula |
C29H26N4O6S2
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| Molecular Weight |
590.683
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C#N)cc1
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| InChI |
InChI=1S/C29H26N4O6S2/c1-40(35,36)26-11-7-23(8-12-26)29(34)32-15-13-24(14-16-32)33-20-31-19-28(33)22-5-9-25(10-6-22)39-41(37,38)27-4-2-3-21(17-27)18-30/h2-12,17,19-20,24H,13-16H2,1H3
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| InChIKey |
LTFUTVDGOBKNTI-UHFFFAOYSA-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