General Information of the Compound
| Compound ID |
CP0891237
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| Compound Name |
2-(5,6-Dimethoxypyridin-2-yl)-4-(2,4,6-trifluorobenzyl)-2H-pyrido[2,3-e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
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| Structure |
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| Formula |
C20H15F3N4O5S
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| Molecular Weight |
480.424
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| Canonical SMILES |
COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)nc1OC
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| InChI |
InChI=1S/C20H15F3N4O5S/c1-31-15-5-6-17(25-19(15)32-2)27-20(28)26(10-12-13(22)8-11(21)9-14(12)23)18-16(33(27,29)30)4-3-7-24-18/h3-9H,10H2,1-2H3
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| InChIKey |
NADVAWWMPXTUET-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