General Information of the Compound
| Compound ID |
CP0379913
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| Compound Name |
CHEMBL3323284
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| Formula |
C42H55Br2N3O6
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| Molecular Weight |
857.725
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| Canonical SMILES |
[Br-].[Br-].CC(C)(CN1C(=O)c2cccc3cccc(C1=O)c23)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
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| InChI |
InChI=1S/C42H55N3O6.2BrH/c1-42(2,26-43-39(47)31-19-13-17-29-18-14-20-32(36(29)31)40(43)48)27-44(3,4)21-11-6-7-12-22-45(5)34-23-30(24-35(45)38-37(34)51-38)50-41(49)33(25-46)28-15-9-8-10-16-28;;/h8-10,13-20,30,33-35,37-38,46H,6-7,11-12,21-27H2,1-5H3;2*1H/q+2;;/p-2/t30-,33-,34+,35-,37+,38-,45?;;/m1../s1
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| InChIKey |
WXPPKUFPMLKLIE-SGMQLFCJSA-L
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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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01516, Muscarinic acetylcholine receptor M5