General Information of the Compound
| Compound ID |
CP0001781
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| Compound Name |
4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-(2-methoxyethyl)thieno[3,2-c]pyridine-7-carboxamide
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| Structure |
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| Formula |
C21H26N4O4S2
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| Molecular Weight |
462.597
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| Canonical SMILES |
COCCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C
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| InChI |
InChI=1S/C21H26N4O4S2/c1-21(2,3)25-31(27,28)14-7-5-13(6-8-14)17-11-15-18(30-17)16(12-24-19(15)22)20(26)23-9-10-29-4/h5-8,11-12,25H,9-10H2,1-4H3,(H2,22,24)(H,23,26)
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| InChIKey |
PYAGKUPDMHSDNB-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