General Information of the Compound
| Compound ID |
CP0422128
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| Compound Name |
N-ethyl-6-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Formula |
C23H29N7O
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| Molecular Weight |
419.533
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| Canonical SMILES |
CCNC(=O)N1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
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| InChI |
InChI=1S/C23H29N7O/c1-5-24-23(31)29-9-8-17-10-20(7-6-18(17)13-29)27-22-25-11-16(4)21(28-22)19-12-26-30(14-19)15(2)3/h6-7,10-12,14-15H,5,8-9,13H2,1-4H3,(H,24,31)(H,25,27,28)
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| InChIKey |
XKNKSNCIEABVEL-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