General Information of the Compound
| Compound ID |
CP0690540
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| Compound Name |
ethyl 2-(4-(((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)methyl)-1H-1,2,3-triazol-1-yl)acetate
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| Structure |
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| Formula |
C27H28N8O4
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| Molecular Weight |
528.573
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| Canonical SMILES |
CCOC(=O)Cn1cc(CN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)nn1
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| InChI |
InChI=1S/C27H28N8O4/c1-5-39-27(36)17-34-15-19(31-32-34)16-35(21-8-22(37-3)11-23(9-21)38-4)20-6-7-24-25(10-20)30-26(13-28-24)18-12-29-33(2)14-18/h6-15H,5,16-17H2,1-4H3
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| InChIKey |
WRSADQAXUUZHPM-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: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2