General Information of the Compound
| Compound ID |
CP0511675
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| Compound Name |
3-(4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-piperidine-1-carbonyl)cyclopentanone
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| Structure |
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| Formula |
C19H25N5O2
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| Molecular Weight |
355.442
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| Canonical SMILES |
CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCC(=O)C1
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| InChI |
InChI=1S/C19H25N5O2/c1-12-6-8-24(19(26)13-3-4-14(25)9-13)10-16(12)23(2)18-15-5-7-20-17(15)21-11-22-18/h5,7,11-13,16H,3-4,6,8-10H2,1-2H3,(H,20,21,22)
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| InChIKey |
XLWYJSMYNALODL-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