General Information of the Compound
| Compound ID |
CP0479714
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| Compound Name |
trimethyl-[[(2R,5R)-5,6,6-triphenyl-1,4-dioxan-2-yl]methyl]azanium;iodide
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| Structure |
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| Formula |
C26H30INO2
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| Molecular Weight |
515.435
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| Canonical SMILES |
[I-].C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(O1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H30NO2.HI/c1-27(2,3)19-24-20-28-25(21-13-7-4-8-14-21)26(29-24,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h4-18,24-25H,19-20H2,1-3H3;1H/q+1;/p-1/t24-,25-;/m1./s1
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| InChIKey |
DEUXKIKRZGQXBZ-JIMLSGQQSA-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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5