General Information of the Compound
| Compound ID |
CP0415152
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| Compound Name |
N-[3-[6-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidin-3-yl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C17H16N4O5S
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| Molecular Weight |
388.405
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| Canonical SMILES |
CS(=O)(=O)Nc1cccc(c1)N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H16N4O5S/c1-27(25,26)19-13-5-3-6-14(11-13)20-9-8-16(18-17(20)22)12-4-2-7-15(10-12)21(23)24/h2-8,10-11,19H,9H2,1H3,(H,18,22)
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| InChIKey |
YFICPROXWRXSBO-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