General Information of the Compound
| Compound ID |
CP0507910
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| Compound Name |
2-(2,4,6-trimethylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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| Structure |
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| Formula |
C25H31NO2
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| Molecular Weight |
377.528
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| Canonical SMILES |
CCN1CCC(=C(C1)C(=O)OCCc1c(C)cc(C)cc1C)c1ccccc1
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| InChI |
InChI=1S/C25H31NO2/c1-5-26-13-11-23(21-9-7-6-8-10-21)24(17-26)25(27)28-14-12-22-19(3)15-18(2)16-20(22)4/h6-10,15-16H,5,11-14,17H2,1-4H3
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| InChIKey |
XHTVEHQJEMMOQN-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: PT01516, Muscarinic acetylcholine receptor M5