General Information of the Compound
| Compound ID |
CP0558553
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| Compound Name |
1-[[5-bromo-4-[(4-bromonaphthalen-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(trifluoromethyl)pyridin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C20H14Br2F3N5O2S2
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| Molecular Weight |
637.301
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| Canonical SMILES |
FC(F)(F)c1cncc(NS(=O)(=O)CSc2nnc(Br)n2Cc2ccc(Br)c3ccccc23)c1
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| InChI |
InChI=1S/C20H14Br2F3N5O2S2/c21-17-6-5-12(15-3-1-2-4-16(15)17)10-30-18(22)27-28-19(30)33-11-34(31,32)29-14-7-13(8-26-9-14)20(23,24)25/h1-9,29H,10-11H2
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| InChIKey |
OAYABYPCLYZEDN-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