General Information of the Compound
| Compound ID |
CP0428081
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| Compound Name |
2-(3,5-bis(trifluoromethyl)benzyloxy)-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 |
C24H22F7N5O
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| Molecular Weight |
529.46
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| Canonical SMILES |
Cn1nnc(n1)C1(F)CC2(NC1CCC2OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C24H22F7N5O/c1-36-34-20(33-35-36)21(25)13-22(15-5-3-2-4-6-15)19(8-7-18(21)32-22)37-12-14-9-16(23(26,27)28)11-17(10-14)24(29,30)31/h2-6,9-11,18-19,32H,7-8,12-13H2,1H3
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| InChIKey |
UZFWWSXEIJUCEB-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