General Information of the Compound
| Compound ID |
CP0159532
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| Compound Name |
N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide
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| Synonyms |
190383-31-4
AC1MURTZ
AKOS028108749
BCP08352
BDBM50058225
BPBio1_001301
Benzamide, N-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methyl-
Biomol-NT_000050
CCG-205049
CHEBI:94634
CHEMBL45244
DTXSID7044007
GTPL975
Lopac-P-233
Lopac0_000969
N-((4-(2-cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamide
N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide
NCGC00015791-01
NCGC00024977-02
NOCAS_44007
PD 168,077 maleate salt
PD 168077
PD-168,077
PD-168077
SCHEMBL4002275
Tocris-1065
ZINC25758996
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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 |
Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
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| InChI |
InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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| InChIKey |
DNULYRGWTFLJQL-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
Cell-based Assay
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Clinical Information about the Compound