General Information of the Compound
| Compound ID |
CP0397138
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| Compound Name |
N-[4-(3,5-difluorophenyl)-2-nitrophenyl]-3,4,5-trimethoxybenzamide
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| Synonyms |
PMID25991433-Compound-Q1
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| Structure |
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| Formula |
C22H18F2N2O6
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| Molecular Weight |
444.39
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C22H18F2N2O6/c1-30-19-9-14(10-20(31-2)21(19)32-3)22(27)25-17-5-4-12(8-18(17)26(28)29)13-6-15(23)11-16(24)7-13/h4-11H,1-3H3,(H,25,27)
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| InChIKey |
UCSAAECBPXPZFV-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
Clinical Information about the Compound
Drug 1 ( PMID25991433-Compound-Q1 )
| Drug Name | PMID25991433-Compound-Q1 | ||
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| Company | UNIVERSIT DEGLI STUDI DI BARI [IT] | ||