General Information of the Compound
| Compound ID |
CP0514376
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| Compound Name |
4-(3-(trifluoromethoxy)phenyl)-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]-imidazole
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| Structure |
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| Formula |
C25H18F9N5O
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| Molecular Weight |
575.435
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| Canonical SMILES |
FC(F)(F)Oc1cccc(c1)-c1cc(cc2[nH]c(nc12)N1CCN(CC1)c1ncccc1C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H18F9N5O/c26-23(27,28)15-12-17(14-3-1-4-16(11-14)40-25(32,33)34)20-19(13-15)36-22(37-20)39-9-7-38(8-10-39)21-18(24(29,30)31)5-2-6-35-21/h1-6,11-13H,7-10H2,(H,36,37)
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| InChIKey |
XYBUBAWPEKATEM-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