General Information of the Compound
| Compound ID |
CP0439898
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| Compound Name |
8-fluoro-1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
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| Structure |
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| Formula |
C24H27FN4O2
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| Molecular Weight |
422.504
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| Canonical SMILES |
Fc1cccc2CCC(=O)N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)c12
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| InChI |
InChI=1S/C24H27FN4O2/c25-19-6-3-5-17-9-10-22(30)28(23(17)19)14-4-13-27-15-11-18(12-16-27)29-21-8-2-1-7-20(21)26-24(29)31/h1-3,5-8,18H,4,9-16H2,(H,26,31)
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| InChIKey |
XYOSGJOTBXWFCN-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: PT01005, D(2) dopamine receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2