General Information of the Compound
| Compound ID |
CP0477682
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| Compound Name |
1-[(2R)-4-(5-fluoro-3-methylpyridin-2-yl)-2-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one
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| Formula |
C24H27FN4O
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| Molecular Weight |
406.505
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C
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| InChI |
InChI=1S/C24H27FN4O/c1-17-14-20(25)15-27-24(17)28-12-13-29(18(2)16-28)23(30)10-4-7-19-6-3-9-22-21(19)8-5-11-26-22/h3,5-6,8-9,11,14-15,18H,4,7,10,12-13,16H2,1-2H3/t18-/m1/s1
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| InChIKey |
OIZGGNJJLMUGKL-GOSISDBHSA-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