General Information of the Compound
| Compound ID |
CP0141757
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| Compound Name |
N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]benzamide
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| Structure |
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| Formula |
C19H20N4O
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| Molecular Weight |
320.396
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| Canonical SMILES |
O=C(NCN1CCN(CC1)c1ccccc1C#N)c1ccccc1
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| InChI |
InChI=1S/C19H20N4O/c20-14-17-8-4-5-9-18(17)23-12-10-22(11-13-23)15-21-19(24)16-6-2-1-3-7-16/h1-9H,10-13,15H2,(H,21,24)
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| InChIKey |
YVWOLSSJSAUBFF-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