General Information of the Compound
| Compound ID |
CP0380080
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| Compound Name |
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione
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| Structure |
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| Formula |
C21H21ClFNO3
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| Molecular Weight |
389.854
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| Canonical SMILES |
OC1(CCN(CC1)C(=O)CCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H21ClFNO3/c22-17-5-3-16(4-6-17)21(27)11-13-24(14-12-21)20(26)10-9-19(25)15-1-7-18(23)8-2-15/h1-8,27H,9-14H2
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| InChIKey |
CPIWUAZRERXKBW-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
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor