General Information of the Compound
| Compound ID |
CP0502484
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| Compound Name |
2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino)-1-(4-fluorophenyl)-N-(methylsulfonyl)-8-aza-bicyclo[3.2.1]octane-6-carboxamide
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| Structure |
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| Formula |
C26H29F4N3O5S
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| Molecular Weight |
571.593
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| Canonical SMILES |
CS(=O)(=O)NC(=O)C1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H29F4N3O5S/c1-39(35,36)33-24(34)20-13-25(16-2-4-17(27)5-3-16)23(11-9-21(20)32-25)31-14-15-12-19(38-26(28,29)30)8-10-22(15)37-18-6-7-18/h2-5,8,10,12,18,20-21,23,31-32H,6-7,9,11,13-14H2,1H3,(H,33,34)
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| InChIKey |
OWZMXGWNSWZOSE-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