General Information of the Compound
| Compound ID |
CP0552022
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| Compound Name |
2-(4-cyclobutyloxy-3-methoxyphenyl)-5-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C22H18F3N5O4
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| Molecular Weight |
473.411
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| Canonical SMILES |
COc1cc(ccc1OC1CCC1)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
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| InChI |
InChI=1S/C22H18F3N5O4/c1-31-19-9-13(5-8-18(19)32-14-3-2-4-14)20-28-29-21(33-20)16-10-15(34-22(23,24)25)6-7-17(16)30-12-26-11-27-30/h5-12,14H,2-4H2,1H3
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| InChIKey |
UHDQBUUFXYSLNU-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