General Information of the Compound
| Compound ID |
CP0406800
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| Compound Name |
2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide
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| Structure |
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| Formula |
C21H24ClFN2O
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| Molecular Weight |
374.887
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| Canonical SMILES |
CC[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H24ClFN2O/c1-2-14-12-24-10-9-16(14)13-25-21(26)20-18(7-4-8-19(20)23)15-5-3-6-17(22)11-15/h3-8,11,14,16,24H,2,9-10,12-13H2,1H3,(H,25,26)/t14-,16+/m0/s1
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| InChIKey |
XRFSBFDSFFGNLO-GOEBONIOSA-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: PT01266, Muscarinic acetylcholine receptor M3