General Information of the Compound
| Compound ID |
CP0913098
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| Compound Name |
8,8-dimethyl-3-[(3-methyl-furan-2-ylmethyl)-phenyl-carbamoyloxy]-8-azonia-bicyclo[3.2.1]octane bromide
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| Formula |
C22H29BrN2O3
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| Molecular Weight |
449.389
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| Canonical SMILES |
Cc1ccoc1CN(C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C22H29N2O3.BrH/c1-16-11-12-26-21(16)15-23(17-7-5-4-6-8-17)22(25)27-20-13-18-9-10-19(14-20)24(18,2)3;/h4-8,11-12,18-20H,9-10,13-15H2,1-3H3;1H/q+1;/p-1/t18-,19+,20+;
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| InChIKey |
YUPCHOBIWKJCKG-BWSPSPBFSA-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