General Information of the Compound
| Compound ID |
CP0454701
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| Compound Name |
N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C16H12N4O3S3
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| Molecular Weight |
404.498
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| Canonical SMILES |
Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2cccs2)c2ccccc12
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| InChI |
InChI=1S/C16H12N4O3S3/c21-15-11-5-2-1-4-10(11)12(8-13(15)25-16-17-9-18-19-16)20-26(22,23)14-6-3-7-24-14/h1-9,20-21H,(H,17,18,19)
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| InChIKey |
NNQKMQAEDVSGIJ-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