General Information of the Compound
| Compound ID |
CP0467292
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| Compound Name |
(2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino)-1-phenyl-8-aza-bicyclo[3.2.1]octan-6-yl)methanol
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| Structure |
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| Formula |
C25H29F3N2O3
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| Molecular Weight |
462.512
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| Canonical SMILES |
OCC1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1
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| InChI |
InChI=1S/C25H29F3N2O3/c26-25(27,28)33-20-8-10-22(32-19-6-7-19)16(12-20)14-29-23-11-9-21-17(15-31)13-24(23,30-21)18-4-2-1-3-5-18/h1-5,8,10,12,17,19,21,23,29-31H,6-7,9,11,13-15H2
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| InChIKey |
PLOFBQMQAHOQHM-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