General Information of the Compound
| Compound ID |
CP0049400
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| Compound Name |
N-(4-chloro-3-fluorophenyl)-N'-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]oxamide
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| Structure |
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| Formula |
C14H15ClFN5O2
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| Molecular Weight |
339.758
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| Canonical SMILES |
CCn1ncnc1C(C)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C14H15ClFN5O2/c1-3-21-12(17-7-18-21)8(2)19-13(22)14(23)20-9-4-5-10(15)11(16)6-9/h4-8H,3H2,1-2H3,(H,19,22)(H,20,23)
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| InChIKey |
OQFWKYRHADSFJO-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