General Information of the Compound
| Compound ID |
CP0514063
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| Compound Name |
7-[4-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C24H28F3N3O2
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| Molecular Weight |
447.501
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| Canonical SMILES |
FC(F)(F)c1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
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| InChI |
InChI=1S/C24H28F3N3O2/c25-24(26,27)20-5-1-2-6-22(20)30-14-12-29(13-15-30)11-3-4-16-32-19-9-7-18-8-10-23(31)28-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,28,31)
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| InChIKey |
NXHZOGJHNYRAGN-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