General Information of the Compound
| Compound ID |
CP0452272
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| Compound Name |
2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
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| Structure |
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| Formula |
C20H21N5S
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| Molecular Weight |
363.49
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| Canonical SMILES |
Cn1c(CN2CCN(CC2)c2nc3ccccc3s2)nc2ccccc12
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| InChI |
InChI=1S/C20H21N5S/c1-23-17-8-4-2-6-15(17)21-19(23)14-24-10-12-25(13-11-24)20-22-16-7-3-5-9-18(16)26-20/h2-9H,10-14H2,1H3
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| InChIKey |
KGAWYOXARZIJOP-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