General Information of the Compound
| Compound ID |
CP0909075
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| Compound Name |
(R)-3-(benzyl(phenyl)carbamoyloxy)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C30H35BrN2O2
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| Molecular Weight |
535.526
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C30H35N2O2.BrH/c33-30(31(28-16-8-3-9-17-28)23-26-13-6-2-7-14-26)34-29-24-32(21-18-27(29)19-22-32)20-10-15-25-11-4-1-5-12-25;/h1-9,11-14,16-17,27,29H,10,15,18-24H2;1H/q+1;/p-1/t27?,29-,32?;/m0./s1
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| InChIKey |
PNWQOMABRMWDMF-LVKSKBLHSA-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