General Information of the Compound
| Compound ID |
CP0568764
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| Compound Name |
[4-[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] benzenesulfonate
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| Structure |
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| Formula |
C28H23ClF3N3O4S
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| Molecular Weight |
590.023
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C28H23ClF3N3O4S/c29-25-11-8-20(16-24(25)28(30,31)32)27(36)34-14-12-21(13-15-34)35-18-33-17-26(35)19-6-9-22(10-7-19)39-40(37,38)23-4-2-1-3-5-23/h1-11,16-18,21H,12-15H2
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| InChIKey |
ZMUBNFUZQXPTCY-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