General Information of the Compound
Compound ID |
CP0340657
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Compound Name |
4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e][1,2]thiazine-3-carboxylic acid(4'-methyl-biphenyl-4-yl)-amide
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Structure |
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Formula |
C22H18N2O4S
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Molecular Weight |
406.463
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Canonical SMILES |
Cc1ccc(cc1)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1
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InChI |
InChI=1S/C22H18N2O4S/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)23-22(26)20-21(25)18-4-2-3-5-19(18)29(27,28)24-20/h2-13,24-25H,1H3,(H,23,26)
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InChIKey |
LDSMDBADLINLQL-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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