General Information of the Compound
| Compound ID |
CP0749985
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| Compound Name |
4-(2-Chloro-6-fluorobenzyl)-2-(3,4-dimethoxyphenyl)-1,1-dioxo-1,4-dihydro-2H-1lambda'6'-benzo[1,2,4]thiadiazin-3-one
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| Structure |
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| Formula |
C22H18ClFN2O5S
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| Molecular Weight |
476.913
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| Canonical SMILES |
COc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1OC
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| InChI |
InChI=1S/C22H18ClFN2O5S/c1-30-19-11-10-14(12-20(19)31-2)26-22(27)25(13-15-16(23)6-5-7-17(15)24)18-8-3-4-9-21(18)32(26,28)29/h3-12H,13H2,1-2H3
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| InChIKey |
VWTFKSZNMHZTNJ-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