General Information of the Compound
| Compound ID |
CP0437987
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| Compound Name |
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylacetamide
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| Structure |
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| Formula |
C22H18F3N3O5S
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| Molecular Weight |
493.463
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| Canonical SMILES |
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(OC(F)(F)F)cc3)c3ccccc23)no1
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| InChI |
InChI=1S/C22H18F3N3O5S/c1-14-10-20(27-33-14)26-21(29)13-34(30,31)19-12-28(18-5-3-2-4-17(18)19)11-15-6-8-16(9-7-15)32-22(23,24)25/h2-10,12H,11,13H2,1H3,(H,26,27,29)
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| InChIKey |
FMKZSVAMWJRLMA-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