General Information of the Compound
| Compound ID |
CP0879200
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| Compound Name |
1-Butyl-2-(3,4-dichlorobenzyl)-5-trifluoromethylbenzimidazole
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| Structure |
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| Formula |
C19H17Cl2F3N2
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| Molecular Weight |
401.259
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| Canonical SMILES |
CCCCn1c(Cc2ccc(Cl)c(Cl)c2)nc2cc(C(F)(F)F)ccc21
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| InChI |
InChI=1S/C19H17Cl2F3N2/c1-2-3-8-26-17-7-5-13(19(22,23)24)11-16(17)25-18(26)10-12-4-6-14(20)15(21)9-12/h4-7,9,11H,2-3,8,10H2,1H3
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| InChIKey |
BFKQXTMJTDBGEJ-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2