General Information of the Compound
| Compound ID |
CP0549517
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| Compound Name |
5-[6-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-ol
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| Formula |
C25H34N6O
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| Molecular Weight |
434.588
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCCCCO)CCc3c2)ncc1C
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| InChI |
InChI=1S/C25H34N6O/c1-18(2)31-17-22(15-27-31)24-19(3)14-26-25(29-24)28-23-8-7-21-16-30(10-5-4-6-12-32)11-9-20(21)13-23/h7-8,13-15,17-18,32H,4-6,9-12,16H2,1-3H3,(H,26,28,29)
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| InChIKey |
MWHXEGCUWAXMAQ-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