General Information of the Compound
| Compound ID |
CP0442587
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| Compound Name |
N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-1-phenyl-8-azabicyclo[3.2.1]octan-2-amine
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| Structure |
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| Formula |
C22H25F3N2O2
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| Molecular Weight |
406.448
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| Canonical SMILES |
COc1ccc(OC(F)(F)F)cc1CNC1CCC2CCC1(N2)c1ccccc1
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| InChI |
InChI=1S/C22H25F3N2O2/c1-28-19-9-8-18(29-22(23,24)25)13-15(19)14-26-20-10-7-17-11-12-21(20,27-17)16-5-3-2-4-6-16/h2-6,8-9,13,17,20,26-27H,7,10-12,14H2,1H3
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| InChIKey |
GXIFPPFQXPIEKY-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