General Information of the Compound
| Compound ID |
CP0426508
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| Compound Name |
6-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Formula |
C24H31N7O
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| Molecular Weight |
433.56
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| Canonical SMILES |
CCCNC(=O)N1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
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| InChI |
InChI=1S/C24H31N7O/c1-5-9-25-24(32)30-10-8-18-11-21(7-6-19(18)14-30)28-23-26-12-17(4)22(29-23)20-13-27-31(15-20)16(2)3/h6-7,11-13,15-16H,5,8-10,14H2,1-4H3,(H,25,32)(H,26,28,29)
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| InChIKey |
XCYZAUMMGRVGMX-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