General Information of the Compound
| Compound ID |
CP0460187
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| Compound Name |
3-amino-N-(diaminomethylene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C13H13FN4O3
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| Molecular Weight |
292.27
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| Canonical SMILES |
COc1ccc(F)cc1-c1cc(N)c(o1)C(=O)NC(N)=N
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| InChI |
InChI=1S/C13H13FN4O3/c1-20-9-3-2-6(14)4-7(9)10-5-8(15)11(21-10)12(19)18-13(16)17/h2-5H,15H2,1H3,(H4,16,17,18,19)
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| InChIKey |
XJBGDNNCKPLQKC-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