General Information of the Compound
| Compound ID |
CP0505454
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| Compound Name |
4-chloro-N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenylamino)piperidin-1-yl)ethyl)cyclohexyl)benzenesulfonamide
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| Formula |
C26H33ClF3N3O2S
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| Molecular Weight |
544.083
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| Canonical SMILES |
FC(F)(F)c1cccc(NC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1
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| InChI |
InChI=1S/C26H33ClF3N3O2S/c27-21-6-10-25(11-7-21)36(34,35)32-23-8-4-19(5-9-23)12-15-33-16-13-22(14-17-33)31-24-3-1-2-20(18-24)26(28,29)30/h1-3,6-7,10-11,18-19,22-23,31-32H,4-5,8-9,12-17H2/t19-,23-
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| InChIKey |
OUSKSBFRBAHODU-UILWBTOOSA-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