General Information of the Compound
| Compound ID |
CP0426511
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| Compound Name |
(E)-4-[6-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2-piperidin-1-ylethyl)but-2-enamide
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| Formula |
C31H42N8O
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| Molecular Weight |
542.732
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(C\C=C\C(=O)NCCN4CCCCC4)CCc3c2)ncc1C
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| InChI |
InChI=1S/C31H42N8O/c1-23(2)39-22-27(20-34-39)30-24(3)19-33-31(36-30)35-28-10-9-26-21-38(16-11-25(26)18-28)15-7-8-29(40)32-12-17-37-13-5-4-6-14-37/h7-10,18-20,22-23H,4-6,11-17,21H2,1-3H3,(H,32,40)(H,33,35,36)/b8-7+
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| InChIKey |
KPOGQKLMDVMRPR-BQYQJAHWSA-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