General Information of the Compound
| Compound ID |
CP0388710
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| Compound Name |
4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide
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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 |
CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1cc2c(N)ncc(C(=O)NCCO)c2s1
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| InChI |
InChI=1S/C20H24N4O4S2/c1-20(2,3)24-30(27,28)13-6-4-12(5-7-13)16-10-14-17(29-16)15(11-23-18(14)21)19(26)22-8-9-25/h4-7,10-11,24-25H,8-9H2,1-3H3,(H2,21,23)(H,22,26)
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| InChIKey |
CXVHVGLFXSFLSB-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: PT01540, Non-receptor tyrosine-protein kinase TYK2
Protein ID: PT01659, Tyrosine-protein kinase JAK1
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT00892, Tyrosine-protein kinase JAK3