General Information of the Compound
| Compound ID |
CP0238841
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| Compound Name |
7-(4-(4-(2-chlorophenyl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
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| Structure |
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| Formula |
C22H27ClN4O2
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| Molecular Weight |
414.937
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| Canonical SMILES |
Clc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
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| InChI |
InChI=1S/C22H27ClN4O2/c23-18-5-1-2-6-19(18)27-14-12-26(13-15-27)11-3-4-16-29-21-10-8-17-7-9-20(28)24-22(17)25-21/h1-2,5-6,8,10H,3-4,7,9,11-16H2,(H,24,25,28)
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| InChIKey |
OCWPTCQPXOGOJA-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