General Information of the Compound
| Compound ID |
CP0001805
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| Compound Name |
4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-c]pyridine-7-carboxamide
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| Structure |
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| Formula |
C24H31N5O4S2
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| Molecular Weight |
517.677
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1cc2c(N)ncc(C(=O)NCCN3CCOCC3)c2s1
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| InChI |
InChI=1S/C24H31N5O4S2/c1-24(2,3)28-35(31,32)17-6-4-16(5-7-17)20-14-18-21(34-20)19(15-27-22(18)25)23(30)26-8-9-29-10-12-33-13-11-29/h4-7,14-15,28H,8-13H2,1-3H3,(H2,25,27)(H,26,30)
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| InChIKey |
ILYLHLOBPWMKMH-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