General Information of the Compound
| Compound ID |
CP0412104
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| Compound Name |
[1-[3-[4-(trifluoromethyl)phenyl]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate;bromide
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| Structure |
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| Formula |
C31H33BrF3NO3
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| Molecular Weight |
604.507
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| Canonical SMILES |
[Br-].OC(C(=O)OC1C[N+]2(CCCc3ccc(cc3)C(F)(F)F)CCC1CC2)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H33F3NO3.BrH/c32-31(33,34)27-15-13-23(14-16-27)8-7-19-35-20-17-24(18-21-35)28(22-35)38-29(36)30(37,25-9-3-1-4-10-25)26-11-5-2-6-12-26;/h1-6,9-16,24,28,37H,7-8,17-22H2;1H/q+1;/p-1
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| InChIKey |
KXWWBUJEPQLCIV-UHFFFAOYSA-M
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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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3