General Information of the Compound
| Compound ID |
CP0912371
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| Compound Name |
(R)-1-(3-phenylpropyl)-3-(m-tolyl(2,4,5-trifluorobenzyl)carbamoyloxy)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C31H34BrF3N2O2
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| Molecular Weight |
603.523
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| Canonical SMILES |
Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCCc4ccccc4)CCC2CC3)c1.[Br-]
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| InChI |
InChI=1S/C31H34F3N2O2.BrH/c1-22-7-5-11-26(17-22)35(20-25-18-28(33)29(34)19-27(25)32)31(37)38-30-21-36(15-12-24(30)13-16-36)14-6-10-23-8-3-2-4-9-23;/h2-5,7-9,11,17-19,24,30H,6,10,12-16,20-21H2,1H3;1H/q+1;/p-1/t24?,30-,36?;/m0./s1
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| InChIKey |
QKWOYWROMVNAEX-QKIIOBKNSA-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