General Information of the Compound
| Compound ID |
CP0513314
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| Compound Name |
1-methyl-2-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole
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| Structure |
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| Formula |
C21H22F3N3
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| Molecular Weight |
373.422
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| Canonical SMILES |
Cn1c(CN2CCC(CC2)c2cccc(c2)C(F)(F)F)nc2ccccc12
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| InChI |
InChI=1S/C21H22F3N3/c1-26-19-8-3-2-7-18(19)25-20(26)14-27-11-9-15(10-12-27)16-5-4-6-17(13-16)21(22,23)24/h2-8,13,15H,9-12,14H2,1H3
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| InChIKey |
VFHXPWOCQCSEPK-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