General Information of the Compound
| Compound ID |
CP0535922
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| Compound Name |
5-(3-chlorophenyl)-N-(diaminomethylene)-3-methylfuran-2-carboxamide
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| Structure |
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| Formula |
C13H12ClN3O2
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| Molecular Weight |
277.711
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| Canonical SMILES |
Cc1cc(oc1C(=O)NC(N)=N)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C13H12ClN3O2/c1-7-5-10(8-3-2-4-9(14)6-8)19-11(7)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18)
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| InChIKey |
JHUQJSFLYRKKFD-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