General Information of the Compound
| Compound ID |
CP0504470
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| Compound Name |
3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]aniline
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| Structure |
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| Formula |
C26H27F3N2O
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| Molecular Weight |
440.509
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| Canonical SMILES |
Nc1cccc(c1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H27F3N2O/c27-26(28,29)23-14-19(13-21(15-23)20-5-4-8-24(30)16-20)17-32-18-25(9-11-31-12-10-25)22-6-2-1-3-7-22/h1-8,13-16,31H,9-12,17-18,30H2
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| InChIKey |
VZJOKDIQHUXBEA-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