General Information of the Compound
| Compound ID |
CP0431619
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| Compound Name |
N-(2-acetamido-4-phenylphenyl)-3,4-dihydroxy-5-methoxybenzamide
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| Structure |
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| Formula |
C22H20N2O5
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| Molecular Weight |
392.411
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| Canonical SMILES |
COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1NC(C)=O)-c1ccccc1
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| InChI |
InChI=1S/C22H20N2O5/c1-13(25)23-18-10-15(14-6-4-3-5-7-14)8-9-17(18)24-22(28)16-11-19(26)21(27)20(12-16)29-2/h3-12,26-27H,1-2H3,(H,23,25)(H,24,28)
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| InChIKey |
DRTNAOHQFUQPBK-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