General Information of the Compound
| Compound ID |
CP0410842
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| Compound Name |
(E)-N-[3-(hydroxymethyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
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| Structure |
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| Formula |
C16H14N2O4
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| Molecular Weight |
298.298
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| Canonical SMILES |
OCc1cccc(NC(=O)\C=C\c2cccc(c2)[N+]([O-])=O)c1
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| InChI |
InChI=1S/C16H14N2O4/c19-11-13-4-1-5-14(9-13)17-16(20)8-7-12-3-2-6-15(10-12)18(21)22/h1-10,19H,11H2,(H,17,20)/b8-7+
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| InChIKey |
JZZUJIQNYCIWHI-BQYQJAHWSA-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: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1