General Information of the Compound
| Compound ID |
CP0453634
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| Compound Name |
2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]benzonitrile
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| Structure |
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| Formula |
C24H28N4O2
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| Molecular Weight |
404.514
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| Canonical SMILES |
O=C1CCc2ccc(OCCCCN3CCN(CC3)c3ccccc3C#N)cc2N1
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| InChI |
InChI=1S/C24H28N4O2/c25-18-20-5-1-2-6-23(20)28-14-12-27(13-15-28)11-3-4-16-30-21-9-7-19-8-10-24(29)26-22(19)17-21/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,26,29)
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| InChIKey |
VTESYDIGEMNUCI-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