General Information of the Compound
| Compound ID |
CP0906344
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| Compound Name |
(R)-3-((3-fluorophenyl)(3,4,5-trifluorobenzyl)carbamoyloxy)-1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C29H29BrF4N2O3
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| Molecular Weight |
609.458
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1.[Br-]
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| InChI |
InChI=1S/C29H29F4N2O3.BrH/c30-22-5-4-6-23(17-22)34(18-20-15-25(31)28(33)26(32)16-20)29(36)38-27-19-35(11-9-21(27)10-12-35)13-14-37-24-7-2-1-3-8-24;/h1-8,15-17,21,27H,9-14,18-19H2;1H/q+1;/p-1/t21?,27-,35?;/m0./s1
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| InChIKey |
CAKRLTNLKHYGIV-DFXIHDQSSA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3