General Information of the Compound
| Compound ID |
CP0383376
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| Compound Name |
N-[4-nitro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C17H20N2O5S
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| Molecular Weight |
364.423
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| Canonical SMILES |
CC(C)c1ccc(COc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C17H20N2O5S/c1-12(2)14-6-4-13(5-7-14)11-24-17-10-15(19(20)21)8-9-16(17)18-25(3,22)23/h4-10,12,18H,11H2,1-3H3
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| InChIKey |
POVSVQVSZRPQON-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