General Information of the Compound
| Compound ID |
CP0476764
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| Compound Name |
[(2S)-1-(4-methoxyphenyl)propan-2-yl] 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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| Structure |
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| Formula |
C24H29NO3
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| Molecular Weight |
379.5
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| Canonical SMILES |
CCN1CCC(=C(C1)C(=O)O[C@@H](C)Cc1ccc(OC)cc1)c1ccccc1
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| InChI |
InChI=1S/C24H29NO3/c1-4-25-15-14-22(20-8-6-5-7-9-20)23(17-25)24(26)28-18(2)16-19-10-12-21(27-3)13-11-19/h5-13,18H,4,14-17H2,1-3H3/t18-/m0/s1
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| InChIKey |
YQYNDEMZTZWYJH-SFHVURJKSA-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