General Information of the Compound
| Compound ID |
CP0517996
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| Compound Name |
2-[3,4-bis(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C22H16F6N4O
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| Molecular Weight |
466.385
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1C(F)(F)F)-c1nnc(CCCCc2ccc3cccnc3n2)o1
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| InChI |
InChI=1S/C22H16F6N4O/c23-21(24,25)16-10-8-14(12-17(16)22(26,27)28)20-32-31-18(33-20)6-2-1-5-15-9-7-13-4-3-11-29-19(13)30-15/h3-4,7-12H,1-2,5-6H2
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| InChIKey |
DESKZLMQYXSDGI-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