General Information of the Compound
| Compound ID |
CP0425149
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| Compound Name |
2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-fluoro-6-(2-methyl-2H-tetrazol-5-yl)-1-phenyl-8-aza-bicyclo[3.2.1]octane
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| Structure |
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| Formula |
C25H24F7N5O
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| Molecular Weight |
543.487
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| Canonical SMILES |
C[C@@H](OC1CCC2NC1(CC2(F)c1nnn(C)n1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H24F7N5O/c1-14(15-10-17(24(27,28)29)12-18(11-15)25(30,31)32)38-20-9-8-19-22(26,21-34-36-37(2)35-21)13-23(20,33-19)16-6-4-3-5-7-16/h3-7,10-12,14,19-20,33H,8-9,13H2,1-2H3/t14-,19?,20?,22?,23?/m1/s1
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| InChIKey |
VNEJEACQXCJUFD-QOLIVUAPSA-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