General Information of the Compound
| Compound ID |
CP0906476
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| Compound Name |
endo-3-(2-hydroxy-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide
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| Formula |
C23H30BrNO
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| Molecular Weight |
416.403
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(O)(c1ccccc1)c1ccccc1)C2.[Br-]
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| InChI |
InChI=1S/C23H30NO.BrH/c1-24(2)21-13-14-22(24)16-18(15-21)17-23(25,19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,18,21-22,25H,13-17H2,1-2H3;1H/q+1;/p-1/t18-,21+,22-;
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| InChIKey |
NULNJXKOSLKYAG-UXDPJVGCSA-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