General Information of the Compound
| Compound ID |
CP0543878
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| Compound Name |
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-phenethyl-4-phenyl-piperidine
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| Structure |
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| Formula |
C29H29F6NO
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| Molecular Weight |
521.545
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| Canonical SMILES |
FC(F)(F)c1cc(COCC2(CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H29F6NO/c30-28(31,32)25-17-23(18-26(19-25)29(33,34)35)20-37-21-27(24-9-5-2-6-10-24)12-15-36(16-13-27)14-11-22-7-3-1-4-8-22/h1-10,17-19H,11-16,20-21H2
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| InChIKey |
MVFZYTRKQQVGAV-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