General Information of the Compound
| Compound ID |
CP0441324
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| Compound Name |
4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide
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| Structure |
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| Formula |
C25H24N4O2S
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| Molecular Weight |
444.56
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| Canonical SMILES |
Nc1ncc(C(=O)NCc2ccccc2)c2sc(cc12)-c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C25H24N4O2S/c26-24-20-14-22(18-6-8-19(9-7-18)29-10-12-31-13-11-29)32-23(20)21(16-27-24)25(30)28-15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2,(H2,26,27)(H,28,30)
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| InChIKey |
YRJVKIRTSBKFQV-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