General Information of the Compound
| Compound ID |
CP0868278
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| Compound Name |
(R)-1-(3-(biphenyl-4-yloxy)propyl)-3-(N-methyl-9H-xanthene-9-carboxamido)-1-azoniabicyclo[2.2.2]octane chloride
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| Structure |
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| Formula |
C37H39ClN2O3
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| Molecular Weight |
595.183
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| Canonical SMILES |
CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCOc3ccc(-c4ccccc4)cc3)CCC1CC2.[Cl-]
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| InChI |
InChI=1S/C37H39N2O3.ClH/c1-38(37(40)36-31-12-5-7-14-34(31)42-35-15-8-6-13-32(35)36)33-26-39(23-20-29(33)21-24-39)22-9-25-41-30-18-16-28(17-19-30)27-10-3-2-4-11-27;/h2-8,10-19,29,33,36H,9,20-26H2,1H3;1H/q+1;/p-1/t29?,33-,39?;/m0./s1
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| InChIKey |
XAOYXWBMNWEHTO-ODDGICHGSA-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