General Information of the Compound
| Compound ID |
CP0858919
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| Compound Name |
(3-endo)-3-(3-Hydroxy-2,2-diphenylpropyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane Bromide
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| Formula |
C24H32BrNO
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| Molecular Weight |
430.43
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(CO)(c1ccccc1)c1ccccc1)C2.[Br-]
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| InChI |
InChI=1S/C24H32NO.BrH/c1-25(2)22-13-14-23(25)16-19(15-22)17-24(18-26,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,19,22-23,26H,13-18H2,1-2H3;1H/q+1;/p-1/t19-,22+,23-;
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| InChIKey |
SOXXQXVGPUWVOY-XITXYIRHSA-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