General Information of the Compound
| Compound ID |
CP0467291
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenyl-8-azabicyclo[3.2.1]octan-2-amine
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| Structure |
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| Formula |
C22H22F6N2
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| Molecular Weight |
428.42
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| Canonical SMILES |
FC(F)(F)c1cc(CNC2CCC3CCC2(N3)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F6N2/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)13-29-19-7-6-18-8-9-20(19,30-18)15-4-2-1-3-5-15/h1-5,10-12,18-19,29-30H,6-9,13H2
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| InChIKey |
ZUWWPTFJXXNGIJ-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