General Information of the Compound
| Compound ID |
CP0178951
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| Compound Name |
N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide
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| Structure |
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| Formula |
C20H22N4O
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| Molecular Weight |
334.423
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
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| InChI |
InChI=1S/C20H22N4O/c1-16-6-8-17(9-7-16)20(25)22-15-23-10-12-24(13-11-23)19-5-3-2-4-18(19)14-21/h2-9H,10-13,15H2,1H3,(H,22,25)
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| InChIKey |
FJYYLTSACBJXID-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