General Information of the Compound
| Compound ID |
CP0502483
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| Compound Name |
N-[[2-chloro-5-(trifluoromethoxy)phenyl]methyl]-1-phenyl-8-azabicyclo[3.2.1]octan-2-amine
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| Structure |
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| Formula |
C21H22ClF3N2O
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| Molecular Weight |
410.867
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| Canonical SMILES |
FC(F)(F)Oc1ccc(Cl)c(CNC2CCC3CCC2(N3)c2ccccc2)c1
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| InChI |
InChI=1S/C21H22ClF3N2O/c22-18-8-7-17(28-21(23,24)25)12-14(18)13-26-19-9-6-16-10-11-20(19,27-16)15-4-2-1-3-5-15/h1-5,7-8,12,16,19,26-27H,6,9-11,13H2
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| InChIKey |
QJLPTGTXRGEKCS-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01410, Substance-P receptor