General Information of the Compound
| Compound ID |
CP0394504
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| Compound Name |
N-[(3R,4R)-1-[(2,3-difluorophenyl)methyl]-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C20H23F2N5
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| Molecular Weight |
371.435
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| Canonical SMILES |
C[C@@H]1CCN(Cc2cccc(F)c2F)C[C@@H]1N(C)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C20H23F2N5/c1-13-7-9-27(10-14-4-3-5-16(21)18(14)22)11-17(13)26(2)20-15-6-8-23-19(15)24-12-25-20/h3-6,8,12-13,17H,7,9-11H2,1-2H3,(H,23,24,25)/t13-,17+/m1/s1
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| InChIKey |
AVRPPQPEZXXZIO-DYVFJYSZSA-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: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT00892, Tyrosine-protein kinase JAK3