General Information of the Compound
| Compound ID |
CP0084259
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| Compound Name |
6,7-Dichloro-2-methyl-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e][1,2]thiazine-3-carboxylic acid (1-benzyl-2-oxo-ethyl)-amide
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| Structure |
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| Formula |
C19H16Cl2N2O4S
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| Molecular Weight |
439.32
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| Canonical SMILES |
CN1C(=Cc2cc(Cl)c(Cl)cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
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| InChI |
InChI=1S/C19H16Cl2N2O4S/c1-23-17(9-13-8-15(20)16(21)10-18(13)28(23,26)27)19(25)22-14(11-24)7-12-5-3-2-4-6-12/h2-6,8-11,14H,7H2,1H3,(H,22,25)/t14-/m0/s1
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| InChIKey |
REPJVBPQOCSAEZ-AWEZNQCLSA-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