General Information of the Compound
| Compound ID |
CP0542841
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| Compound Name |
3-[(E)-2-nitroethenyl]-N-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C14H11N3O3
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| Molecular Weight |
269.26
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| Canonical SMILES |
[O-][N+](=O)\C=C\c1cccc(c1)C(=O)Nc1ccccn1
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| InChI |
InChI=1S/C14H11N3O3/c18-14(16-13-6-1-2-8-15-13)12-5-3-4-11(10-12)7-9-17(19)20/h1-10H,(H,15,16,18)/b9-7+
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| InChIKey |
DKECEPHCYVFFOW-VQHVLOKHSA-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