General Information of the Compound
| Compound ID |
CP0399247
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| Compound Name |
2-nitro-4-phenyl-N-(3,4,5-trimethoxyphenyl)benzamide
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| Synonyms |
PMID25991433-Compound-Q2
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| Structure |
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| Formula |
C22H20N2O6
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| Molecular Weight |
408.41
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| Canonical SMILES |
COc1cc(NC(=O)c2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(OC)c1OC
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| InChI |
InChI=1S/C22H20N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)23-22(25)17-10-9-15(11-18(17)24(26)27)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,25)
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| InChIKey |
RCEYITFFDFXLHB-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-Q2 )
| Drug Name | PMID25991433-Compound-Q2 | ||
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| Company | UNIVERSIT DEGLI STUDI DI BARI [IT] | ||