General Information of the Compound
| Compound ID |
CP0394529
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| Compound Name |
2,2-Dimethyl-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 |
C18H24N6O
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| Molecular Weight |
340.431
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| Canonical SMILES |
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C(C)(C)C#N
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| InChI |
InChI=1S/C18H24N6O/c1-12-6-8-24(17(25)18(2,3)10-19)9-14(12)23(4)16-13-5-7-20-15(13)21-11-22-16/h5,7,11-12,14H,6,8-9H2,1-4H3,(H,20,21,22)
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| InChIKey |
VWSCLEOQSBFMNS-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