General Information of the Compound
| Compound ID |
CP0401051
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| Compound Name |
3-(3H-benzimidazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole
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| Structure |
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| Formula |
C17H8F6N4O
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| Molecular Weight |
398.266
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccc2nc[nH]c2c1
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| InChI |
InChI=1S/C17H8F6N4O/c18-16(19,20)10-3-9(4-11(6-10)17(21,22)23)15-26-14(27-28-15)8-1-2-12-13(5-8)25-7-24-12/h1-7H,(H,24,25)
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| InChIKey |
LMWDLSZWNCXLBK-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