General Information of the Compound
| Compound ID |
CP0400212
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| Compound Name |
2-(3-chlorophenyl)-6-fluoro-N-[[(3S,4R)-4-fluoro-3-methylpiperidin-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C20H21ClF2N2O
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| Molecular Weight |
378.85
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| Canonical SMILES |
C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H21ClF2N2O/c1-13-11-24-9-8-20(13,23)12-25-19(26)18-16(6-3-7-17(18)22)14-4-2-5-15(21)10-14/h2-7,10,13,24H,8-9,11-12H2,1H3,(H,25,26)/t13-,20-/m0/s1
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| InChIKey |
MVPPAPVWAOWBNM-RBZFPXEDSA-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5