General Information of the Compound
| Compound ID |
CP0405495
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| Compound Name |
5-(3-chlorophenyl)-N-(diaminomethylene)-3-(methylamino)furan-2-carboxamide
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| Structure |
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| Formula |
C13H13ClN4O2
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| Molecular Weight |
292.726
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| Canonical SMILES |
CNc1cc(oc1C(=O)NC(N)=N)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C13H13ClN4O2/c1-17-9-6-10(7-3-2-4-8(14)5-7)20-11(9)12(19)18-13(15)16/h2-6,17H,1H3,(H4,15,16,18,19)
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| InChIKey |
UECMGWYHAGNGBI-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