General Information of the Compound
| Compound ID |
CP0534911
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| Compound Name |
[4-[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] 3-(cyclopropylcarbamoyl)benzenesulfonate
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| Structure |
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| Formula |
C32H28ClF3N4O5S
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| Molecular Weight |
673.113
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C(=O)NC2CC2)cc1
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| InChI |
InChI=1S/C32H28ClF3N4O5S/c33-28-11-6-22(17-27(28)32(34,35)36)31(42)39-14-12-24(13-15-39)40-19-37-18-29(40)20-4-9-25(10-5-20)45-46(43,44)26-3-1-2-21(16-26)30(41)38-23-7-8-23/h1-6,9-11,16-19,23-24H,7-8,12-15H2,(H,38,41)
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| InChIKey |
MEJJYQDFKMOLIY-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