General Information of the Compound
| Compound ID |
CP0136531
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| Compound Name |
2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-methylbenzimidazole
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| Synonyms |
GSK 1331268
GSK-1331268
GSK1331268
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| Structure |
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| Formula |
C17H19ClN6
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| Molecular Weight |
342.834
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| Canonical SMILES |
Cn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
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| InChI |
InChI=1S/C17H19ClN6/c1-22-15-5-3-2-4-14(15)21-16(22)12-23-6-8-24(9-7-23)17-19-10-13(18)11-20-17/h2-5,10-11H,6-9,12H2,1H3
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| InChIKey |
IXXZGBOSQDVMTC-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
Protein ID: PT01748, Metabotropic glutamate receptor 2
Clinical Information about the Compound