General Information of the Compound
| Compound ID |
CP0704645
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| Compound Name |
N-(2-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
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| Structure |
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| Formula |
C26H27F3N6O4
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| Molecular Weight |
544.534
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| Canonical SMILES |
COc1cc(OC)cc(N(CCNC(=O)C(C)(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C26H27F3N6O4/c1-25(37,26(27,28)29)24(36)30-7-8-35(18-9-19(38-3)12-20(10-18)39-4)17-5-6-21-22(11-17)33-23(14-31-21)16-13-32-34(2)15-16/h5-6,9-15,37H,7-8H2,1-4H3,(H,30,36)
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| InChIKey |
LLWAEGOAXVEIMG-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