General Information of the Compound
| Compound ID |
CP0425885
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| Compound Name |
2-(3-fluorophenyl)ethyl 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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| Structure |
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| Formula |
C21H22FNO2
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| Molecular Weight |
339.41
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| Canonical SMILES |
CN1CCC(=C(C1)C(=O)OCCc1cccc(F)c1)c1ccccc1
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| InChI |
InChI=1S/C21H22FNO2/c1-23-12-10-19(17-7-3-2-4-8-17)20(15-23)21(24)25-13-11-16-6-5-9-18(22)14-16/h2-9,14H,10-13,15H2,1H3
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| InChIKey |
NBNHGRRWKSPRMB-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