General Information of the Compound
| Compound ID |
CP0441325
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| Compound Name |
4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
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| Structure |
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| Formula |
C16H12F3N3O2S
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| Molecular Weight |
367.352
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| Canonical SMILES |
CNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C16H12F3N3O2S/c1-21-15(23)11-7-22-14(20)10-6-12(25-13(10)11)8-2-4-9(5-3-8)24-16(17,18)19/h2-7H,1H3,(H2,20,22)(H,21,23)
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| InChIKey |
ZYYHYWCLONWJSJ-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