General Information of the Compound
| Compound ID |
CP0374745
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| Compound Name |
3-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-2-methyl-2,3-dihydro-isoindol-1-one
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CCC2N(C)C(=O)c3ccccc23)CC1
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| InChI |
InChI=1S/C22H27N3O2/c1-23-21(19-5-3-4-6-20(19)22(23)26)11-12-24-13-15-25(16-14-24)17-7-9-18(27-2)10-8-17/h3-10,21H,11-16H2,1-2H3
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| InChIKey |
JSGIEHICMIFPBV-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