General Information of the Compound
| Compound ID |
CP0553872
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| Compound Name |
N-[5-(3,5-difluorophenyl)pyridin-2-yl]-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C21H18F2N2O4
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| Molecular Weight |
400.381
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cn1)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C21H18F2N2O4/c1-27-17-8-14(9-18(28-2)20(17)29-3)21(26)25-19-5-4-12(11-24-19)13-6-15(22)10-16(23)7-13/h4-11H,1-3H3,(H,24,25,26)
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| InChIKey |
VABBGJQABQRWKU-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