General Information of the Compound
| Compound ID |
CP0538224
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| Compound Name |
1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidin-1-yl]-2-dimethylamino-ethanone
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| Structure |
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| Formula |
C25H28F6N2O2
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| Molecular Weight |
502.499
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| Canonical SMILES |
CN(C)CC(=O)N1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1
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| InChI |
InChI=1S/C25H28F6N2O2/c1-32(2)15-22(34)33-10-8-23(9-11-33,19-6-4-3-5-7-19)17-35-16-18-12-20(24(26,27)28)14-21(13-18)25(29,30)31/h3-7,12-14H,8-11,15-17H2,1-2H3
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| InChIKey |
XWPPLQPKHYHHLH-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