General Information of the Compound
| Compound ID |
CP0502200
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| Compound Name |
(2-cyclohexyl-5-(methylsulfonyl)phenyl)(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C25H29F3N2O3S
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| Molecular Weight |
494.579
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| Canonical SMILES |
CS(=O)(=O)c1ccc(C2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H29F3N2O3S/c1-34(32,33)21-11-12-22(18-5-3-2-4-6-18)23(17-21)24(31)30-15-13-29(14-16-30)20-9-7-19(8-10-20)25(26,27)28/h7-12,17-18H,2-6,13-16H2,1H3
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| InChIKey |
KFAXJQMUMIBYAF-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