General Information of the Compound
| Compound ID |
CP0506406
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| Compound Name |
N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]octane-1-sulfonamide
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| Structure |
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| Formula |
C20H26N4O3S2
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| Molecular Weight |
434.587
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| Canonical SMILES |
CCCCCCCCS(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12
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| InChI |
InChI=1S/C20H26N4O3S2/c1-2-3-4-5-6-9-12-29(26,27)24-17-13-18(28-20-21-14-22-23-20)19(25)16-11-8-7-10-15(16)17/h7-8,10-11,13-14,24-25H,2-6,9,12H2,1H3,(H,21,22,23)
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| InChIKey |
YXFRXGMTQARJCO-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