General Information of the Compound
| Compound ID |
CP0464077
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| Compound Name |
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
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| Structure |
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| Formula |
C24H26FNO3
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| Molecular Weight |
395.474
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| Canonical SMILES |
CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H26FNO3/c1-2-26-12-9-21(18-4-6-20(25)7-5-18)22(16-26)24(27)29-13-10-17-3-8-23-19(15-17)11-14-28-23/h3-8,15H,2,9-14,16H2,1H3
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| InChIKey |
ZQVGRZYKVFLJPD-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