General Information of the Compound
| Compound ID |
CP0382812
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| Compound Name |
4-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)-butan-1-one
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| Structure |
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| Formula |
C22H27FN2O
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| Molecular Weight |
354.469
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| Canonical SMILES |
Cc1ccc(C)c(c1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C22H27FN2O/c1-17-5-6-18(2)21(16-17)25-14-12-24(13-15-25)11-3-4-22(26)19-7-9-20(23)10-8-19/h5-10,16H,3-4,11-15H2,1-2H3
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| InChIKey |
YJHBORBWSSPLGN-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