General Information of the Compound
| Compound ID |
CP0417110
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| Compound Name |
N-[4-(3-acetylphenyl)-2-nitrophenyl]-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C24H22N2O7
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| Molecular Weight |
450.447
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccc(c1)C(C)=O
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| InChI |
InChI=1S/C24H22N2O7/c1-14(27)15-6-5-7-16(10-15)17-8-9-19(20(11-17)26(29)30)25-24(28)18-12-21(31-2)23(33-4)22(13-18)32-3/h5-13H,1-4H3,(H,25,28)
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| InChIKey |
PRMGBNOSLSTPFM-UHFFFAOYSA-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