General Information of the Compound
| Compound ID |
CP0466331
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| Compound Name |
3-[6-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol
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| Formula |
C22H27FN6O
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| Molecular Weight |
410.497
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCCO)CCc3c2)ncc1F
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| InChI |
InChI=1S/C22H27FN6O/c1-15(2)29-14-18(11-25-29)21-20(23)12-24-22(27-21)26-19-5-4-17-13-28(7-3-9-30)8-6-16(17)10-19/h4-5,10-12,14-15,30H,3,6-9,13H2,1-2H3,(H,24,26,27)
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| InChIKey |
YYJCAOKDRHIHHY-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