General Information of the Compound
| Compound ID |
CP0563152
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| Compound Name |
2-(3,4-dimethoxyphenyl)-5-[2-piperidin-1-yl-5-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C22H22F3N3O4
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| Molecular Weight |
449.429
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1N1CCCCC1
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| InChI |
InChI=1S/C22H22F3N3O4/c1-29-18-9-6-14(12-19(18)30-2)20-26-27-21(31-20)16-13-15(32-22(23,24)25)7-8-17(16)28-10-4-3-5-11-28/h6-9,12-13H,3-5,10-11H2,1-2H3
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| InChIKey |
BYSXYFYNCUJKEV-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