General Information of the Compound
| Compound ID |
CP0944395
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| Compound Name |
(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)phenyl)(4-methoxypiperidin-1-yl)methanone
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| Structure |
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| Formula |
C21H21ClF3NO3
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| Molecular Weight |
427.85
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| Canonical SMILES |
COC1CCN(C(=O)c2cccc(COc3ccc(C(F)(F)F)cc3Cl)c2)CC1
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| InChI |
InChI=1S/C21H21ClF3NO3/c1-28-17-7-9-26(10-8-17)20(27)15-4-2-3-14(11-15)13-29-19-6-5-16(12-18(19)22)21(23,24)25/h2-6,11-12,17H,7-10,13H2,1H3
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| InChIKey |
CLLLZJFHMBIRFZ-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