General Information of the Compound
| Compound ID |
CP0471971
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| Compound Name |
4-chloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-3-nitrobenzamide
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| Structure |
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| Formula |
C22H20ClN3O6S
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| Molecular Weight |
489.937
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| Canonical SMILES |
CN(c1ccc(NC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1OCc1ccccc1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H20ClN3O6S/c1-25(33(2,30)31)19-11-9-17(13-21(19)32-14-15-6-4-3-5-7-15)24-22(27)16-8-10-18(23)20(12-16)26(28)29/h3-13H,14H2,1-2H3,(H,24,27)
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| InChIKey |
QPZZTRLBLFHRDW-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