General Information of the Compound
| Compound ID |
CP0466794
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| Compound Name |
2-Methyl-3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
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| Structure |
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| Formula |
C17H22N6O
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| Molecular Weight |
326.404
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| Canonical SMILES |
CC(C#N)C(=O)N1CCC(C)C(C1)N(C)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C17H22N6O/c1-11-5-7-23(17(24)12(2)8-18)9-14(11)22(3)16-13-4-6-19-15(13)20-10-21-16/h4,6,10-12,14H,5,7,9H2,1-3H3,(H,19,20,21)
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| InChIKey |
HTHSDNKHQYZZDG-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: PT01659, Tyrosine-protein kinase JAK1
Protein ID: PT00892, Tyrosine-protein kinase JAK3