General Information of the Compound
| Compound ID |
CP0417018
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| Compound Name |
4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-(3-morpholin-4-ylpropyl)thieno[3,2-c]pyridine-7-carboxamide
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| Structure |
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| Formula |
C25H33N5O4S2
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| Molecular Weight |
531.704
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1cc2c(N)ncc(C(=O)NCCCN3CCOCC3)c2s1
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| InChI |
InChI=1S/C25H33N5O4S2/c1-25(2,3)29-36(32,33)18-7-5-17(6-8-18)21-15-19-22(35-21)20(16-28-23(19)26)24(31)27-9-4-10-30-11-13-34-14-12-30/h5-8,15-16,29H,4,9-14H2,1-3H3,(H2,26,28)(H,27,31)
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| InChIKey |
DDQMAQPUXCDQSZ-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