General Information of the Compound
| Compound ID |
CP0188721
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| Compound Name |
3-[[5-(2,4-dimethoxyphenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-N,N,4-trimethyl-benzenesulfonamide
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| Structure |
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| Formula |
C20H24N4O4S2
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| Molecular Weight |
448.57
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| Canonical SMILES |
COc1ccc(C2=NN=C(Nc3cc(ccc3C)S(=O)(=O)N(C)C)SC2)c(OC)c1
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| InChI |
InChI=1S/C20H24N4O4S2/c1-13-6-8-15(30(25,26)24(2)3)11-17(13)21-20-23-22-18(12-29-20)16-9-7-14(27-4)10-19(16)28-5/h6-11H,12H2,1-5H3,(H,21,23)
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| InChIKey |
BUBNWPQQSXLHOK-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8