General Information of the Compound
| Compound ID |
CP0510648
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| Compound Name |
4-bromo-N-((1r,4r)-4-(2-(4-(3-cyano-5-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)cyclohexyl)benzenesulfonamide
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| Formula |
C26H30BrF3N4O2S
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| Molecular Weight |
599.517
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2ccc(Br)cc2)CC1)C#N
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| InChI |
InChI=1S/C26H30BrF3N4O2S/c27-22-3-7-25(8-4-22)37(35,36)32-23-5-1-19(2-6-23)9-10-33-11-13-34(14-12-33)24-16-20(18-31)15-21(17-24)26(28,29)30/h3-4,7-8,15-17,19,23,32H,1-2,5-6,9-14H2/t19-,23-
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| InChIKey |
FCSNJXPPXJWFER-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