General Information of the Compound
| Compound ID |
CP0439090
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| Compound Name |
2-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-1-yl]methyl]-1-methylbenzimidazole
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| Structure |
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| Formula |
C20H20ClF3N4
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| Molecular Weight |
408.855
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| Canonical SMILES |
Cn1c(CN2CCC(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
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| InChI |
InChI=1S/C20H20ClF3N4/c1-27-17-5-3-2-4-16(17)26-18(27)12-28-8-6-13(7-9-28)19-15(21)10-14(11-25-19)20(22,23)24/h2-5,10-11,13H,6-9,12H2,1H3
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| InChIKey |
OTTSZTXIWXPOIL-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