General Information of the Compound
| Compound ID |
CP0422131
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| Compound Name |
N-[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]-2-prop-2-ynyl-3,4-dihydro-1H-isoquinolin-6-amine
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| Formula |
C23H26N6
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| Molecular Weight |
386.503
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CC#C)CCc3c2)ncc1C
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| InChI |
InChI=1S/C23H26N6/c1-5-9-28-10-8-18-11-21(7-6-19(18)14-28)26-23-24-12-17(4)22(27-23)20-13-25-29(15-20)16(2)3/h1,6-7,11-13,15-16H,8-10,14H2,2-4H3,(H,24,26,27)
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| InChIKey |
KOXYZQSETQEPGB-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