General Information of the Compound
| Compound ID |
CP0544423
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| Compound Name |
1-N,1-N-dimethyl-4-[(E)-2-nitroethenyl]-2-N-pyridin-2-ylbenzene-1,2-diamine
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| Structure |
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| Formula |
C15H16N4O2
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| Molecular Weight |
284.319
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| Canonical SMILES |
CN(C)c1ccc(\C=C\[N+]([O-])=O)cc1Nc1ccccn1
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| InChI |
InChI=1S/C15H16N4O2/c1-18(2)14-7-6-12(8-10-19(20)21)11-13(14)17-15-5-3-4-9-16-15/h3-11H,1-2H3,(H,16,17)/b10-8+
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| InChIKey |
XHYLNXKQZCIXND-CSKARUKUSA-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
Protein ID: PT04438, Toll-like receptor 2
Protein ID: PT03343, Toll-like receptor 4