General Information of the Compound
| Compound ID |
CP0094185
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| Compound Name |
4-methoxy-N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C19H16N4O4S2
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| Molecular Weight |
428.495
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12
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| InChI |
InChI=1S/C19H16N4O4S2/c1-27-12-6-8-13(9-7-12)29(25,26)23-16-10-17(28-19-20-11-21-22-19)18(24)15-5-3-2-4-14(15)16/h2-11,23-24H,1H3,(H,20,21,22)
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| InChIKey |
AOLKNRLBWWDPIN-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