General Information of the Compound
| Compound ID |
CP0110876
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| Compound Name |
N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide
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| Structure |
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| Formula |
C18H20ClN3O
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| Molecular Weight |
329.831
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| Canonical SMILES |
Clc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
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| InChIKey |
NZCZNMGSFLEVRM-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