General Information of the Compound
| Compound ID |
CP0918646
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| Compound Name |
8,8-dimethyl-3-(thiophen-3-yl-thiophen-3-ylmethyl-carbamoyloxy)-8-azonia-bicyclo[3.2.1]octane bromide
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| Formula |
C19H25BrN2O2S2
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| Molecular Weight |
457.459
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2.[Br-]
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| InChI |
InChI=1S/C19H25N2O2S2.BrH/c1-21(2)16-3-4-17(21)10-18(9-16)23-19(22)20(15-6-8-25-13-15)11-14-5-7-24-12-14;/h5-8,12-13,16-18H,3-4,9-11H2,1-2H3;1H/q+1;/p-1/t16-,17+,18+;
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| InChIKey |
NGOBIYYWAZKXCP-KJEGMACNSA-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