General Information of the Compound
| Compound ID |
CP0466323
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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]but-2-enoic acid
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| Structure |
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| Formula |
C24H28N6O2
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| Molecular Weight |
432.528
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(C\C=C\C(O)=O)CCc3c2)ncc1C
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| InChI |
InChI=1S/C24H28N6O2/c1-16(2)30-15-20(13-26-30)23-17(3)12-25-24(28-23)27-21-7-6-19-14-29(9-4-5-22(31)32)10-8-18(19)11-21/h4-7,11-13,15-16H,8-10,14H2,1-3H3,(H,31,32)(H,25,27,28)/b5-4+
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| InChIKey |
SNRUIWMOAHSUGQ-SNAWJCMRSA-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