General Information of the Compound
| Compound ID |
CP0435493
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| Compound Name |
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(diaminomethylidene)furan-2-carboxamide
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| Structure |
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| Formula |
C13H9ClF3N3O2
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| Molecular Weight |
331.681
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| Canonical SMILES |
NC(=N)NC(=O)c1ccc(o1)-c1cc(ccc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C13H9ClF3N3O2/c14-8-2-1-6(13(15,16)17)5-7(8)9-3-4-10(22-9)11(21)20-12(18)19/h1-5H,(H4,18,19,20,21)
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| InChIKey |
YVAMCJWCLNZNCR-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