General Information of the Compound
| Compound ID |
CP0068322
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| Compound Name |
5-{3-[3-(2H-1,3-benzodioxol-5-yl)propyl]pyridin-4-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
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| Structure |
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| Formula |
C24H19F3N4O3
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| Molecular Weight |
468.435
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nnc(o2)-c2ccncc2CCCc2ccc3OCOc3c2)c1
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| InChI |
InChI=1S/C24H19F3N4O3/c25-24(26,27)17-5-2-6-18(12-17)29-23-31-30-22(34-23)19-9-10-28-13-16(19)4-1-3-15-7-8-20-21(11-15)33-14-32-20/h2,5-13H,1,3-4,14H2,(H,29,31)
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| InChIKey |
ZYQKQBUXHBAHNF-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