General Information of the Compound
| Compound ID |
CP0399245
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| Compound Name |
3,4-dimethoxy-N-(2-nitro-4-phenylphenyl)benzamide
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| Structure |
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| Formula |
C21H18N2O5
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| Molecular Weight |
378.384
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
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| InChI |
InChI=1S/C21H18N2O5/c1-27-19-11-9-16(13-20(19)28-2)21(24)22-17-10-8-15(12-18(17)23(25)26)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,24)
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| InChIKey |
JBONGJSFPJLWDX-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