General Information of the Compound
| Compound ID |
CP0399407
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| Compound Name |
CHEMBL3323282
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| Formula |
C26H42Br2N2O4
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| Molecular Weight |
606.44
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| Canonical SMILES |
[Br-].[Br-].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/C26H42N2O4.2BrH/c1-27(2,3)14-10-5-6-11-15-28(4)22-16-20(17-23(28)25-24(22)32-25)31-26(30)21(18-29)19-12-8-7-9-13-19;;/h7-9,12-13,20-25,29H,5-6,10-11,14-18H2,1-4H3;2*1H/q+2;;/p-2/t20-,21-,22+,23-,24+,25-,28?;;/m1../s1
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| InChIKey |
WDUHZFDQSFNRMQ-BFHBPWAQSA-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