General Information of the Compound
| Compound ID |
CP0076889
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| Compound Name |
N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide
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| Structure |
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| Formula |
C20H25N3O2
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| Molecular Weight |
339.439
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| Canonical SMILES |
COc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1
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| InChI |
InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)20(24)21-15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
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| InChIKey |
JIXQPDNGVCMIOH-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
Cell-based Assay