General Information of the Compound
| Compound ID |
CP0497578
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| Compound Name |
3,4,5-trimethoxy-N-[2-nitro-4-(3,4,5-trimethoxyphenyl)phenyl]benzamide
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| Structure |
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| Formula |
C25H26N2O9
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| Molecular Weight |
498.488
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C25H26N2O9/c1-31-19-10-15(11-20(32-2)23(19)35-5)14-7-8-17(18(9-14)27(29)30)26-25(28)16-12-21(33-3)24(36-6)22(13-16)34-4/h7-13H,1-6H3,(H,26,28)
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| InChIKey |
OYOLDSYSIDZOFA-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