General Information of the Compound
| Compound ID |
CP0039341
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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-[2-(3,4-dichloro-phenyl)-ethyl]-phenyl}-amide
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| Structure |
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| Formula |
C23H18Cl2N2O4S
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| Molecular Weight |
489.38
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| Canonical SMILES |
OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C23H18Cl2N2O4S/c24-18-12-9-15(13-19(18)25)6-5-14-7-10-16(11-8-14)26-23(29)21-22(28)17-3-1-2-4-20(17)32(30,31)27-21/h1-4,7-13,27-28H,5-6H2,(H,26,29)
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| InChIKey |
BVUXZTCWRGPZCS-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