General Information of the Compound
| Compound ID |
CP0952685
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| Compound Name |
4-((trans-1-(3-Chlorobenzyl)-2-methylpiperidin-4-yl)amino)-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C22H26ClN5O
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| Molecular Weight |
411.937
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| Canonical SMILES |
CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cccc(Cl)c2)[C@@H](C)C1
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| InChI |
InChI=1S/C22H26ClN5O/c1-14-10-17(7-9-28(14)13-15-4-3-5-16(23)11-15)27-20-18-6-8-25-21(18)26-12-19(20)22(29)24-2/h3-6,8,11-12,14,17H,7,9-10,13H2,1-2H3,(H,24,29)(H2,25,26,27)/t14-,17+/m0/s1
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| InChIKey |
GHTIJRCKDVYVEF-WMLDXEAASA-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