General Information of the Compound
| Compound ID |
CP0514681
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| Compound Name |
(2-(cyclopropylmethoxy)-5-(methylsulfonyl)phenyl)(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C23H25F3N2O4S
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| Molecular Weight |
482.524
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| Canonical SMILES |
CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H25F3N2O4S/c1-33(30,31)19-8-9-21(32-15-16-2-3-16)20(14-19)22(29)28-12-10-27(11-13-28)18-6-4-17(5-7-18)23(24,25)26/h4-9,14,16H,2-3,10-13,15H2,1H3
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| InChIKey |
VITMMSAVYOMOBK-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