General Information of the Compound
| Compound ID |
CP0542950
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| Compound Name |
5-(2-fluoroanilino)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1,3,4-oxadiazole-2-carboxamide
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| Structure |
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| Formula |
C19H20FN7O2
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| Molecular Weight |
397.414
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cn1
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| InChI |
InChI=1S/C19H20FN7O2/c1-26-8-10-27(11-9-26)16-7-6-13(12-21-16)22-17(28)18-24-25-19(29-18)23-15-5-3-2-4-14(15)20/h2-7,12H,8-11H2,1H3,(H,22,28)(H,23,25)
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| InChIKey |
DLBKGVUOCQAPRH-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