General Information of the Compound
| Compound ID |
CP0418386
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| Compound Name |
3,4,5-trimethoxy-N-(2-nitro-4-thiophen-2-ylphenyl)benzamide
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| Structure |
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| Formula |
C20H18N2O6S
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| Molecular Weight |
414.439
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccs1
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| InChI |
InChI=1S/C20H18N2O6S/c1-26-16-10-13(11-17(27-2)19(16)28-3)20(23)21-14-7-6-12(9-15(14)22(24)25)18-5-4-8-29-18/h4-11H,1-3H3,(H,21,23)
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| InChIKey |
SJJCHGCUWOQGAQ-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