General Information of the Compound
| Compound ID |
CP0798178
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| Compound Name |
4-(4-Chloro-2-fluorobenzyl)-2-(3,4-dimethoxyphenyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
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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(Cc3ccc(Cl)cc3F)c3ccccc3S2(=O)=O)cc1OC
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| InChI |
InChI=1S/C22H18ClFN2O5S/c1-30-19-10-9-16(12-20(19)31-2)26-22(27)25(13-14-7-8-15(23)11-17(14)24)18-5-3-4-6-21(18)32(26,28)29/h3-12H,13H2,1-2H3
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| InChIKey |
AODGQPHTAIRNBU-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