General Information of the Compound
| Compound ID |
CP0807413
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| Compound Name |
4-((8-(4-Chlorobenzyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C23H26ClN5O
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| Molecular Weight |
423.948
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| Canonical SMILES |
CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H26ClN5O/c1-25-23(30)20-12-27-22-19(8-9-26-22)21(20)28-16-10-17-6-7-18(11-16)29(17)13-14-2-4-15(24)5-3-14/h2-5,8-9,12,16-18H,6-7,10-11,13H2,1H3,(H,25,30)(H2,26,27,28)
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| InChIKey |
HTLYYINPNLEYCE-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