General Information of the Compound
| Compound ID |
CP0850038
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| Compound Name |
1-Ethyl-4-phenyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid octyl ester oxalic acid
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| Structure |
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| Formula |
C24H35NO6
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| Molecular Weight |
433.545
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| Canonical SMILES |
CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C22H33NO2.C2H2O4/c1-3-5-6-7-8-12-17-25-22(24)21-18-23(4-2)16-15-20(21)19-13-10-9-11-14-19;3-1(4)2(5)6/h9-11,13-14H,3-8,12,15-18H2,1-2H3;(H,3,4)(H,5,6)
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| InChIKey |
JXFMNHZWZPYJBA-UHFFFAOYSA-N
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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