General Information of the Compound
| Compound ID |
CP0913086
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| Compound Name |
3-[(3-bromo-benzyl)-phenyl-carbamoyloxy]-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane bromide
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| Formula |
C23H28Br2N2O2
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| Molecular Weight |
524.297
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2.[Br-]
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| InChI |
InChI=1S/C23H28BrN2O2.BrH/c1-26(2)20-11-12-21(26)15-22(14-20)28-23(27)25(19-9-4-3-5-10-19)16-17-7-6-8-18(24)13-17;/h3-10,13,20-22H,11-12,14-16H2,1-2H3;1H/q+1;/p-1/t20-,21+,22-;
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| InChIKey |
MGOZKLPZKLFEGH-XQJPQCLXSA-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