General Information of the Compound
| Compound ID |
CP0217010
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| Compound Name |
7-(4-(4-(6-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
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| Structure |
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| Formula |
C26H29FN4O2
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| Molecular Weight |
448.542
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| Canonical SMILES |
Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
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| InChI |
InChI=1S/C26H29FN4O2/c27-21-8-9-22-20(18-21)4-3-5-23(22)31-15-13-30(14-16-31)12-1-2-17-33-25-11-7-19-6-10-24(32)28-26(19)29-25/h3-5,7-9,11,18H,1-2,6,10,12-17H2,(H,28,29,32)
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| InChIKey |
PLKOFQSGOPKBMP-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