General Information of the Compound
| Compound ID |
CP0705375
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| Compound Name |
4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
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| Structure |
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| Formula |
C22H19F2N3O6S
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| Molecular Weight |
491.472
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| Canonical SMILES |
COc1cc(F)c(CN2C(=O)N(c3cnc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1
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| InChI |
InChI=1S/C22H19F2N3O6S/c1-31-14-9-16(23)15(17(24)10-14)12-26-18-6-4-5-7-20(18)34(29,30)27(22(26)28)13-8-19(32-2)21(33-3)25-11-13/h4-11H,12H2,1-3H3
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| InChIKey |
AIZXGTQGJBGNNH-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