General Information of the Compound
| Compound ID |
CP0291606
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| Compound Name |
6-fluoro-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-3,4-dihydroisoquinolin-1(2H)-one
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| Structure |
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| Formula |
C24H30FN3O2
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| Molecular Weight |
411.521
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2CCc3cc(F)ccc3C2=O)CC1
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| InChI |
InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)27-16-14-26(15-17-27)11-4-5-12-28-13-10-19-18-20(25)8-9-21(19)24(28)29/h2-3,6-9,18H,4-5,10-17H2,1H3
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| InChIKey |
ZAZPPOBRQFIKRC-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