General Information of the Compound
| Compound ID |
CP0496516
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| Compound Name |
4-[3-(3,5-Bis-trifluoromethyl-phenyl)-propyl]-4-phenyl-piperidine
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| Structure |
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| Formula |
C22H23F6N
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| Molecular Weight |
415.421
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| Canonical SMILES |
FC(F)(F)c1cc(CCCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H23F6N/c23-21(24,25)18-13-16(14-19(15-18)22(26,27)28)5-4-8-20(9-11-29-12-10-20)17-6-2-1-3-7-17/h1-3,6-7,13-15,29H,4-5,8-12H2
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| InChIKey |
SBIUVIYDWWXAGW-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