General Information of the Compound
| Compound ID |
CP0049396
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| Compound Name |
N-[(2-aminopyrimidin-5-yl)methyl]-N'-(4-chloro-3-fluorophenyl)oxamide
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| Structure |
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| Formula |
C13H11ClFN5O2
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| Molecular Weight |
323.715
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| Canonical SMILES |
Nc1ncc(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)cn1
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| InChI |
InChI=1S/C13H11ClFN5O2/c14-9-2-1-8(3-10(9)15)20-12(22)11(21)17-4-7-5-18-13(16)19-6-7/h1-3,5-6H,4H2,(H,17,21)(H,20,22)(H2,16,18,19)
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| InChIKey |
QELSBAFYIXBASM-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