General Information of the Compound
| Compound ID |
CP0548682
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| Compound Name |
5-(3,4-difluoroanilino)-N-(6-morpholin-4-ylpyridin-3-yl)-1,3,4-oxadiazole-2-carboxamide
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| Structure |
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| Formula |
C18H16F2N6O3
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| Molecular Weight |
402.361
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| Canonical SMILES |
Fc1ccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)cc1F
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| InChI |
InChI=1S/C18H16F2N6O3/c19-13-3-1-11(9-14(13)20)23-18-25-24-17(29-18)16(27)22-12-2-4-15(21-10-12)26-5-7-28-8-6-26/h1-4,9-10H,5-8H2,(H,22,27)(H,23,25)
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| InChIKey |
XCYOKZFYAJSASP-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