General Information of the Compound
| Compound ID |
CP0565878
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| Compound Name |
1-[6-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethanone
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| Formula |
C21H23FN6O2
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| Molecular Weight |
410.453
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)CO)ncc1F
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| InChI |
InChI=1S/C21H23FN6O2/c1-13(2)28-11-16(8-24-28)20-18(22)9-23-21(26-20)25-17-4-3-15-10-27(19(30)12-29)6-5-14(15)7-17/h3-4,7-9,11,13,29H,5-6,10,12H2,1-2H3,(H,23,25,26)
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| InChIKey |
PAUJMQGNHPBPDQ-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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT04886, Tyrosine-protein kinase JAK2