General Information of the Compound
| Compound ID |
CP0432064
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| Compound Name |
1-[[5-bromo-4-[(4-bromonaphthalen-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxypyridin-3-yl)methanesulfonamide
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| Structure |
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| Formula |
C20H17Br2N5O3S2
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| Molecular Weight |
599.33
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| Canonical SMILES |
COc1ncccc1NS(=O)(=O)CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12
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| InChI |
InChI=1S/C20H17Br2N5O3S2/c1-30-18-17(7-4-10-23-18)26-32(28,29)12-31-20-25-24-19(22)27(20)11-13-8-9-16(21)15-6-3-2-5-14(13)15/h2-10,26H,11-12H2,1H3
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| InChIKey |
JOGLPCJDVBIZEW-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