General Information of the Compound
| Compound ID |
CP0400080
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| Compound Name |
N-[2-amino-4-(3,5-difluorophenyl)phenyl]-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C22H20F2N2O4
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| Molecular Weight |
414.408
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1N)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C22H20F2N2O4/c1-28-19-9-14(10-20(29-2)21(19)30-3)22(27)26-18-5-4-12(8-17(18)25)13-6-15(23)11-16(24)7-13/h4-11H,25H2,1-3H3,(H,26,27)
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| InChIKey |
NNUDZSBFWBBRKN-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