General Information of the Compound
| Compound ID |
CP0452028
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| Compound Name |
2-(1-(4-methoxybenzyl)-1H-indol-3-ylsulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
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| Structure |
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| Formula |
C22H21N3O5S
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| Molecular Weight |
439.493
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| Canonical SMILES |
COc1ccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)Nc2cc(C)on2)cc1
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| InChI |
InChI=1S/C22H21N3O5S/c1-15-11-21(24-30-15)23-22(26)14-31(27,28)20-13-25(19-6-4-3-5-18(19)20)12-16-7-9-17(29-2)10-8-16/h3-11,13H,12,14H2,1-2H3,(H,23,24,26)
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| InChIKey |
BLNZGURXMCZUFP-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