General Information of the Compound
| Compound ID |
CP0504287
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| Compound Name |
2-(1-(3-cyanobenzyl)-1H-indol-3-ylsulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
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| Structure |
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| Formula |
C22H18N4O4S
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| Molecular Weight |
434.477
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| Canonical SMILES |
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)C#N)c3ccccc23)no1
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| InChI |
InChI=1S/C22H18N4O4S/c1-15-9-21(25-30-15)24-22(27)14-31(28,29)20-13-26(19-8-3-2-7-18(19)20)12-17-6-4-5-16(10-17)11-23/h2-10,13H,12,14H2,1H3,(H,24,25,27)
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| InChIKey |
GHFRUPSPVXNTER-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