General Information of the Compound
| Compound ID |
CP0548678
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| Compound Name |
N-(6-butoxypyridin-3-yl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
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| Structure |
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| Formula |
C18H18FN5O3
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| Molecular Weight |
371.372
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| Canonical SMILES |
CCCCOc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cn1
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| InChI |
InChI=1S/C18H18FN5O3/c1-2-3-10-26-15-9-8-12(11-20-15)21-16(25)17-23-24-18(27-17)22-14-7-5-4-6-13(14)19/h4-9,11H,2-3,10H2,1H3,(H,21,25)(H,22,24)
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| InChIKey |
QBGBBYDVZKAYQR-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