General Information of the Compound
| Compound ID |
CP0854414
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| Compound Name |
3-[(3-cyano-benzyl)-thiophen-3-yl-carbamoyloxy]-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane bromide
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| Formula |
C22H26BrN3O2S
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| Molecular Weight |
476.44
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)N(Cc1cccc(C#N)c1)c1ccsc1)C2.[Br-]
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| InChI |
InChI=1S/C22H26N3O2S.BrH/c1-25(2)19-6-7-20(25)12-21(11-19)27-22(26)24(18-8-9-28-15-18)14-17-5-3-4-16(10-17)13-23;/h3-5,8-10,15,19-21H,6-7,11-12,14H2,1-2H3;1H/q+1;/p-1/t19-,20+,21+;
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| InChIKey |
SMWYZITYQGDZSF-QYESKELBSA-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