General Information of the Compound
| Compound ID |
CP0570943
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| Compound Name |
N-[3-[(E)-2-nitroethenyl]phenyl]pyridin-3-amine
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| Structure |
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| Formula |
C13H11N3O2
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| Molecular Weight |
241.25
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| Canonical SMILES |
[O-][N+](=O)\C=C\c1cccc(Nc2cccnc2)c1
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| InChI |
InChI=1S/C13H11N3O2/c17-16(18)8-6-11-3-1-4-12(9-11)15-13-5-2-7-14-10-13/h1-10,15H/b8-6+
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| InChIKey |
OWVIDUFVZVAJDO-SOFGYWHQSA-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