General Information of the Compound
| Compound ID |
CP0227386
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| Compound Name |
7-(4-(4-(3-chloro-2-(trifluoromethyl)phenyl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
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| Structure |
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| Formula |
C23H26ClF3N4O2
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| Molecular Weight |
482.934
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| Canonical SMILES |
FC(F)(F)c1c(Cl)cccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
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| InChI |
InChI=1S/C23H26ClF3N4O2/c24-17-4-3-5-18(21(17)23(25,26)27)31-13-11-30(12-14-31)10-1-2-15-33-20-9-7-16-6-8-19(32)28-22(16)29-20/h3-5,7,9H,1-2,6,8,10-15H2,(H,28,29,32)
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| InChIKey |
YFIBOKLKHXZNEU-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