General Information of the Compound
| Compound ID |
CP0453632
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| Compound Name |
7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C24H31N3O3
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| Molecular Weight |
409.53
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
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| InChI |
InChI=1S/C24H31N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-8,10,18H,4-5,9,11-17H2,1H3,(H,25,28)
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| InChIKey |
HVSUPPZVIPTMEM-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
Cell-based Assay