General Information of the Compound
| Compound ID |
CP0216866
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| Compound Name |
7-(4-(4-(2-chloro-3-fluorophenyl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
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| Structure |
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| Formula |
C22H26ClFN4O2
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| Molecular Weight |
432.927
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| Canonical SMILES |
Fc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
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| InChI |
InChI=1S/C22H26ClFN4O2/c23-21-17(24)4-3-5-18(21)28-13-11-27(12-14-28)10-1-2-15-30-20-9-7-16-6-8-19(29)25-22(16)26-20/h3-5,7,9H,1-2,6,8,10-15H2,(H,25,26,29)
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| InChIKey |
NAMQSYKUAOZTKL-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor