General Information of the Compound
| Compound ID |
CP0455725
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| Compound Name |
N-(2-fluoro-4-pyridin-3-ylphenyl)-2,3,4-trimethoxybenzamide
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| Structure |
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| Formula |
C21H19FN2O4
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| Molecular Weight |
382.391
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| Canonical SMILES |
COc1ccc(C(=O)Nc2ccc(cc2F)-c2cccnc2)c(OC)c1OC
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| InChI |
InChI=1S/C21H19FN2O4/c1-26-18-9-7-15(19(27-2)20(18)28-3)21(25)24-17-8-6-13(11-16(17)22)14-5-4-10-23-12-14/h4-12H,1-3H3,(H,24,25)
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| InChIKey |
YUKAHJKGUHIFIQ-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