General Information of the Compound
| Compound ID |
CP0410504
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| Compound Name |
(E)-N-(3-tert-butylphenyl)-3-(3-nitrophenyl)prop-2-enamide
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| Structure |
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| Formula |
C19H20N2O3
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| Molecular Weight |
324.38
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| Canonical SMILES |
CC(C)(C)c1cccc(NC(=O)\C=C\c2cccc(c2)[N+]([O-])=O)c1
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| InChI |
InChI=1S/C19H20N2O3/c1-19(2,3)15-7-5-8-16(13-15)20-18(22)11-10-14-6-4-9-17(12-14)21(23)24/h4-13H,1-3H3,(H,20,22)/b11-10+
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| InChIKey |
DXUYJQWVHMAACO-ZHACJKMWSA-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