General Information of the Compound
| Compound ID |
CP0475275
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| Compound Name |
[4-[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] 3-bromobenzenesulfonate
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| Structure |
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| Formula |
C28H22BrClF3N3O4S
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| Molecular Weight |
668.919
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(Br)c2)cc1
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| InChI |
InChI=1S/C28H22BrClF3N3O4S/c29-20-2-1-3-23(15-20)41(38,39)40-22-7-4-18(5-8-22)26-16-34-17-36(26)21-10-12-35(13-11-21)27(37)19-6-9-25(30)24(14-19)28(31,32)33/h1-9,14-17,21H,10-13H2
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| InChIKey |
PXPZIAFJNBFJPD-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