General Information of the Compound
| Compound ID |
CP0467331
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| Compound Name |
2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino)-1-(4-fluorophenyl)-8-aza-bicyclo[3.2.1]octane-6-carboxylic acid
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| Structure |
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| Formula |
C25H26F4N2O4
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| Molecular Weight |
494.485
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| Canonical SMILES |
OC(=O)C1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H26F4N2O4/c26-16-3-1-15(2-4-16)24-12-19(23(32)33)20(31-24)8-10-22(24)30-13-14-11-18(35-25(27,28)29)7-9-21(14)34-17-5-6-17/h1-4,7,9,11,17,19-20,22,30-31H,5-6,8,10,12-13H2,(H,32,33)
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| InChIKey |
BAFNRJAFKSSKNK-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