General Information of the Compound
| Compound ID |
CP0427922
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| Compound Name |
N-(2-fluoro-4-pyridin-3-ylphenyl)-2,4,5-trimethoxy-N-methylbenzamide
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| Structure |
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| Formula |
C22H21FN2O4
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| Molecular Weight |
396.418
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| Canonical SMILES |
COc1cc(OC)c(cc1OC)C(=O)N(C)c1ccc(cc1F)-c1cccnc1
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| InChI |
InChI=1S/C22H21FN2O4/c1-25(18-8-7-14(10-17(18)23)15-6-5-9-24-13-15)22(26)16-11-20(28-3)21(29-4)12-19(16)27-2/h5-13H,1-4H3
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| InChIKey |
WWEHYGLGFQCKSD-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