General Information of the Compound
| Compound ID |
CP0466328
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| Compound Name |
2-butyl-N-[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-6-amine
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| Formula |
C24H32N6
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| Molecular Weight |
404.562
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| Canonical SMILES |
CCCCN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
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| InChI |
InChI=1S/C24H32N6/c1-5-6-10-29-11-9-19-12-22(8-7-20(19)15-29)27-24-25-13-18(4)23(28-24)21-14-26-30(16-21)17(2)3/h7-8,12-14,16-17H,5-6,9-11,15H2,1-4H3,(H,25,27,28)
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| InChIKey |
UPLZPMRNWPULJX-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