General Information of the Compound
| Compound ID |
CP0417108
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| Compound Name |
3,4,5-trimethoxy-N-(2-nitro-4-pyridin-3-ylphenyl)benzamide
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| Structure |
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| Formula |
C21H19N3O6
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| Molecular Weight |
409.398
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccnc1
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| InChI |
InChI=1S/C21H19N3O6/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)23-16-7-6-13(9-17(16)24(26)27)14-5-4-8-22-12-14/h4-12H,1-3H3,(H,23,25)
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| InChIKey |
HUAMGZGGMJBJPL-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02516, Multidrug resistance-associated protein 1