General Information of the Compound
| Compound ID |
CP0378240
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| Compound Name |
2-[1-(3-bromobenzyl)indol-3-yl]sulfonyl-N-(5-methylisoxazol-3-yl)acetamide
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| Structure |
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| Formula |
C21H18BrN3O4S
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| Molecular Weight |
488.363
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| Canonical SMILES |
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3)c3ccccc23)no1
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| InChI |
InChI=1S/C21H18BrN3O4S/c1-14-9-20(24-29-14)23-21(26)13-30(27,28)19-12-25(18-8-3-2-7-17(18)19)11-15-5-4-6-16(22)10-15/h2-10,12H,11,13H2,1H3,(H,23,24,26)
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| InChIKey |
QETZNYYAKOOMBS-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT01913, Muscarinic acetylcholine receptor M1