General Information of the Compound
| Compound ID |
CP0502194
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| Compound Name |
(5-(methylsulfonyl)-2-(piperidin-1-yl)phenyl)(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C24H28F3N3O3S
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| Molecular Weight |
495.567
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| Canonical SMILES |
CS(=O)(=O)c1ccc(N2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H28F3N3O3S/c1-34(32,33)20-9-10-22(29-11-3-2-4-12-29)21(17-20)23(31)30-15-13-28(14-16-30)19-7-5-18(6-8-19)24(25,26)27/h5-10,17H,2-4,11-16H2,1H3
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| InChIKey |
ZYXSSDCWHSHIPM-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