General Information of the Compound
| Compound ID |
CP0050434
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| Compound Name |
2-[1-(5-bromo-2-fluoro-benzyl)indol-3-yl]sulfonyl-N-(5-methylisoxazol-3-yl)acetamide
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| Synonyms |
ML-169
ML169
VU0405652
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| Structure |
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| Formula |
C21H17BrFN3O4S
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| Molecular Weight |
506.353
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| Canonical SMILES |
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(Br)ccc3F)c3ccccc23)no1
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| InChI |
InChI=1S/C21H17BrFN3O4S/c1-13-8-20(25-30-13)24-21(27)12-31(28,29)19-11-26(18-5-3-2-4-16(18)19)10-14-9-15(22)6-7-17(14)23/h2-9,11H,10,12H2,1H3,(H,24,25,27)
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| InChIKey |
RUYRNYRGPSAXTK-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
Clinical Information about the Compound
Drug 1 ( ML169 )
| Drug Name | ML169 | ||
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