General Information of the Compound
| Compound ID |
CP0446344
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| Compound Name |
2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C21H17F3N4O2
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| Molecular Weight |
414.387
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)-c1nnc(CCCCc2ccc3cccnc3n2)o1
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| InChI |
InChI=1S/C21H17F3N4O2/c22-21(23,24)30-17-11-8-15(9-12-17)20-28-27-18(29-20)6-2-1-5-16-10-7-14-4-3-13-25-19(14)26-16/h3-4,7-13H,1-2,5-6H2
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| InChIKey |
UCRVGGIDZFOMMW-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