General Information of the Compound
| Compound ID |
CP0438498
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| Compound Name |
3-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
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| Structure |
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| Formula |
C21H25N3O2
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| Molecular Weight |
351.45
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CCC2NC(=O)c3ccccc23)CC1
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| InChI |
InChI=1S/C21H25N3O2/c1-26-17-8-6-16(7-9-17)24-14-12-23(13-15-24)11-10-20-18-4-2-3-5-19(18)21(25)22-20/h2-9,20H,10-15H2,1H3,(H,22,25)
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| InChIKey |
WHYWZOSKHMUDHU-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