General Information of the Compound
| Compound ID |
CP0414375
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| Compound Name |
N-(2-fluoro-4-pyridin-3-ylphenyl)-3,5-dimethoxybenzamide
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| Structure |
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| Formula |
C20H17FN2O3
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| Molecular Weight |
352.365
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1F)-c1cccnc1
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| InChI |
InChI=1S/C20H17FN2O3/c1-25-16-8-15(9-17(11-16)26-2)20(24)23-19-6-5-13(10-18(19)21)14-4-3-7-22-12-14/h3-12H,1-2H3,(H,23,24)
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| InChIKey |
NBXJITLZOSCWAI-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