General Information of the Compound
| Compound ID |
CP0438506
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| Compound Name |
3-{2-[4-(3,4-Dimethyl-phenyl)-piperidin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
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| Structure |
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| Formula |
C23H28N2O
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| Molecular Weight |
348.49
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| Canonical SMILES |
Cc1ccc(cc1C)C1CCN(CCC2NC(=O)c3ccccc23)CC1
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| InChI |
InChI=1S/C23H28N2O/c1-16-7-8-19(15-17(16)2)18-9-12-25(13-10-18)14-11-22-20-5-3-4-6-21(20)23(26)24-22/h3-8,15,18,22H,9-14H2,1-2H3,(H,24,26)
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| InChIKey |
OBHCEADEAPCRBN-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