General Information of the Compound
| Compound ID |
CP0549518
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| Compound Name |
4-[6-[[5-fluoro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-ol
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| Formula |
C23H29FN6O
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| Molecular Weight |
424.524
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCCCO)CCc3c2)ncc1F
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| InChI |
InChI=1S/C23H29FN6O/c1-16(2)30-15-19(12-26-30)22-21(24)13-25-23(28-22)27-20-6-5-18-14-29(8-3-4-10-31)9-7-17(18)11-20/h5-6,11-13,15-16,31H,3-4,7-10,14H2,1-2H3,(H,25,27,28)
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| InChIKey |
FCRMQJJKNWTHLZ-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: PT04886, Tyrosine-protein kinase JAK2
Protein ID: PT01214, Tyrosine-protein kinase JAK2