General Information of the Compound
| Compound ID |
CP0542712
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| Compound Name |
4-[[3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
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| Structure |
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| Formula |
C27H26F3NO3
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| Molecular Weight |
469.503
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| Canonical SMILES |
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H26F3NO3/c28-27(29,30)23-13-19(12-21(14-23)20-6-7-24-25(15-20)34-18-33-24)16-32-17-26(8-10-31-11-9-26)22-4-2-1-3-5-22/h1-7,12-15,31H,8-11,16-18H2
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| InChIKey |
WJNZUDACYWRORF-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