General Information of the Compound
| Compound ID |
CP0178940
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| Compound Name |
N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-methylbenzamide
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| Structure |
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| Formula |
C19H22ClN3O
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| Molecular Weight |
343.858
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| Canonical SMILES |
Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
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| InChI |
InChI=1S/C19H22ClN3O/c1-15-5-4-6-16(13-15)19(24)21-14-22-9-11-23(12-10-22)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3,(H,21,24)
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| InChIKey |
ZVHOLIZEVQEFBP-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