General Information of the Compound
| Compound ID |
CP0452168
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| Compound Name |
4-amino-N-tert-butyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide
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| Structure |
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| Formula |
C22H26N4O2S
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| Molecular Weight |
410.543
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| Canonical SMILES |
CC(C)(C)NC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C22H26N4O2S/c1-22(2,3)25-21(27)17-13-24-20(23)16-12-18(29-19(16)17)14-4-6-15(7-5-14)26-8-10-28-11-9-26/h4-7,12-13H,8-11H2,1-3H3,(H2,23,24)(H,25,27)
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| InChIKey |
XLCLFBILYNYYBD-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