General Information of the Compound
| Compound ID |
CP0499478
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| Compound Name |
7-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
CCOc1cccc(c1)N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
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| InChI |
InChI=1S/C25H33N3O3/c1-2-30-22-7-5-6-21(18-22)28-15-13-27(14-16-28)12-3-4-17-31-23-10-8-20-9-11-25(29)26-24(20)19-23/h5-8,10,18-19H,2-4,9,11-17H2,1H3,(H,26,29)
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| InChIKey |
PANOZSYKUFDHOX-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