General Information of the Compound
| Compound ID |
CP0552997
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| Compound Name |
2-(4-tert-butylphenyl)-5-(trifluoromethoxy)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C18H17F3N2O
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| Molecular Weight |
334.341
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1nc2ccc(OC(F)(F)F)cc2[nH]1
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| InChI |
InChI=1S/C18H17F3N2O/c1-17(2,3)12-6-4-11(5-7-12)16-22-14-9-8-13(10-15(14)23-16)24-18(19,20)21/h4-10H,1-3H3,(H,22,23)
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| InChIKey |
XCKAYKKBMJSIHM-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