General Information of the Compound
| Compound ID |
CP0387456
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| Compound Name |
2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
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| Structure |
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| Formula |
C21H22N4S
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| Molecular Weight |
362.502
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| Canonical SMILES |
Cn1c(CN2CCC(CC2)c2nc3ccccc3s2)nc2ccccc12
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| InChI |
InChI=1S/C21H22N4S/c1-24-18-8-4-2-6-16(18)22-20(24)14-25-12-10-15(11-13-25)21-23-17-7-3-5-9-19(17)26-21/h2-9,15H,10-14H2,1H3
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| InChIKey |
ZDOBRSDAKYWSHM-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