General Information of the Compound
| Compound ID |
CP0399184
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| Compound Name |
N-(2-fluoro-4-phenylphenyl)-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C22H20FNO4
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| Molecular Weight |
381.403
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1ccccc1
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| InChI |
InChI=1S/C22H20FNO4/c1-26-19-12-16(13-20(27-2)21(19)28-3)22(25)24-18-10-9-15(11-17(18)23)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,24,25)
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| InChIKey |
ATXLFMCOYDBQKY-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