General Information of the Compound
| Compound ID |
CP0381430
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| Compound Name |
3,3,3-trifluoro-1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C16H20F3N5O
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| Molecular Weight |
355.364
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| Canonical SMILES |
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC(F)(F)F
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| InChI |
InChI=1S/C16H20F3N5O/c1-10-4-6-24(13(25)7-16(17,18)19)8-12(10)23(2)15-11-3-5-20-14(11)21-9-22-15/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,20,21,22)/t10-,12+/m1/s1
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| InChIKey |
MTRMACOHLXKTOY-PWSUYJOCSA-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