General Information of the Compound
| Compound ID |
CP0862121
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| Compound Name |
N1,N3-bis(4-hydroxy-4,4-diphenylbutyl)-N1,N1,N3,N3-tetramethylpropane-1,3-diaminium iodide
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| Structure |
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| Formula |
C39H52I2N2O2
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| Molecular Weight |
834.665
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| Canonical SMILES |
C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1.[I-].[I-]
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| InChI |
InChI=1S/C39H52N2O2.2HI/c1-40(2,30-17-28-38(42,34-20-9-5-10-21-34)35-22-11-6-12-23-35)32-19-33-41(3,4)31-18-29-39(43,36-24-13-7-14-25-36)37-26-15-8-16-27-37;;/h5-16,20-27,42-43H,17-19,28-33H2,1-4H3;2*1H/q+2;;/p-2
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| InChIKey |
RASOSRDDYBIKOY-UHFFFAOYSA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5