General Information of the Compound
| Compound ID |
CP0433852
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| Compound Name |
N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]decane-1-sulfonamide
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| Structure |
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| Formula |
C22H30N4O3S2
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| Molecular Weight |
462.641
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| Canonical SMILES |
CCCCCCCCCCS(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12
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| InChI |
InChI=1S/C22H30N4O3S2/c1-2-3-4-5-6-7-8-11-14-31(28,29)26-19-15-20(30-22-23-16-24-25-22)21(27)18-13-10-9-12-17(18)19/h9-10,12-13,15-16,26-27H,2-8,11,14H2,1H3,(H,23,24,25)
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| InChIKey |
LVJCKPZDRABPJP-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