General Information of the Compound
| Compound ID |
CP0390584
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| Compound Name |
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-(3-chloro-4-fluorophenyl)-4-fluorophenyl]carbamate
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| Structure |
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| Formula |
C20H19ClF2N2O2
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| Molecular Weight |
392.833
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| Canonical SMILES |
Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C20H19ClF2N2O2/c21-16-9-13(1-3-17(16)23)15-10-14(22)2-4-18(15)24-20(26)27-19-11-25-7-5-12(19)6-8-25/h1-4,9-10,12,19H,5-8,11H2,(H,24,26)/t19-/m0/s1
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| InChIKey |
STCLPZTXPMXQOZ-IBGZPJMESA-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