General Information of the Compound
| Compound ID |
CP0406943
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| Compound Name |
N-(diaminomethylidene)-5-(3-methylphenyl)furan-2-carboxamide
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| Synonyms |
CHEMBL364735
N-(5-m-Tolyl-furan-2-carbonyl)-guanidine
SCHEMBL4936806
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| Structure |
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| Formula |
C13H13N3O2
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| Molecular Weight |
243.266
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| Canonical SMILES |
Cc1cccc(c1)-c1ccc(o1)C(=O)NC(N)=N
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| InChI |
InChI=1S/C13H13N3O2/c1-8-3-2-4-9(7-8)10-5-6-11(18-10)12(17)16-13(14)15/h2-7H,1H3,(H4,14,15,16,17)
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| InChIKey |
BBOVVXJXVOJLSK-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
Clinical Information about the Compound