General Information of the Compound
| Compound ID |
CP0507905
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| Compound Name |
2-(4-methylsulfonylphenyl)ethyl 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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| Structure |
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| Formula |
C22H25NO4S
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| Molecular Weight |
399.512
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| Canonical SMILES |
CN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)S(C)(=O)=O)c1ccccc1
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| InChI |
InChI=1S/C22H25NO4S/c1-23-14-12-20(18-6-4-3-5-7-18)21(16-23)22(24)27-15-13-17-8-10-19(11-9-17)28(2,25)26/h3-11H,12-16H2,1-2H3
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| InChIKey |
KBFDMWOMIBRCFI-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