General Information of the Compound
| Compound ID |
CP0509701
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| Compound Name |
N-(diaminomethylidene)-5-(3-nitrophenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C12H10N4O4
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| Molecular Weight |
274.236
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| Canonical SMILES |
NC(=N)NC(=O)c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C12H10N4O4/c13-12(14)15-11(17)10-5-4-9(20-10)7-2-1-3-8(6-7)16(18)19/h1-6H,(H4,13,14,15,17)
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| InChIKey |
QYHQCZXTCYMFKH-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