General Information of the Compound
| Compound ID |
CP0868133
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| Compound Name |
(3R)-3-{[(9-Hydroxy-9H-xanthen-9-yl)carbonyl]oxy}-1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C29H30BrNO4
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| Molecular Weight |
536.466
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21.[Br-]
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| InChI |
InChI=1S/C29H30NO4.BrH/c31-28(29(32)23-10-4-6-12-25(23)33-26-13-7-5-11-24(26)29)34-27-20-30(18-15-22(27)16-19-30)17-14-21-8-2-1-3-9-21;/h1-13,22,27,32H,14-20H2;1H/q+1;/p-1/t22?,27-,30?;/m0./s1
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| InChIKey |
WSJPAAOJWAKGSF-BCGUBYTQSA-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