General Information of the Compound
| Compound ID |
CP0920181
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| Compound Name |
8,8-dimethyl-3-[(5-methyl-thiophen-2-ylmethyl)-phenyl-carbamoyloxy]-8-azonia-bicyclo[3.2.1]octane bromide
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| Formula |
C22H29BrN2O2S
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| Molecular Weight |
465.457
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| Canonical SMILES |
Cc1ccc(CN(C(=O)O[C@@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)s1.[Br-]
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| InChI |
InChI=1S/C22H29N2O2S.BrH/c1-16-9-12-21(27-16)15-23(17-7-5-4-6-8-17)22(25)26-20-13-18-10-11-19(14-20)24(18,2)3;/h4-9,12,18-20H,10-11,13-15H2,1-3H3;1H/q+1;/p-1/t18-,19+,20-;
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| InChIKey |
ICHRMLKAANWUBU-XLMMQIPYSA-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