General Information of the Compound
| Compound ID |
CP0464720
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| Compound Name |
N-[[2-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-6-yl]methyl]methanesulfonamide
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| Structure |
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| Formula |
C26H31F4N3O4S
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| Molecular Weight |
557.61
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| Canonical SMILES |
CS(=O)(=O)NCC1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H31F4N3O4S/c1-38(34,35)32-15-17-13-25(18-2-4-19(27)5-3-18)24(11-9-22(17)33-25)31-14-16-12-21(37-26(28,29)30)8-10-23(16)36-20-6-7-20/h2-5,8,10,12,17,20,22,24,31-33H,6-7,9,11,13-15H2,1H3
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| InChIKey |
NUTYWRAIFXRNNI-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