General Information of the Compound
| Compound ID |
CP0702094
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| Compound Name |
N-(3,5-dimethoxyphenyl)-N-(3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
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| Structure |
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| Formula |
C29H27N7O4
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| Molecular Weight |
537.58
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| Canonical SMILES |
COc1cc(OC)cc(N(CC#Cc2cc(OC)nc(OC)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H27N7O4/c1-35-18-19(16-31-35)27-17-30-25-9-8-21(14-26(25)33-27)36(22-12-23(37-2)15-24(13-22)38-3)10-6-7-20-11-28(39-4)34-29(32-20)40-5/h8-9,11-18H,10H2,1-5H3
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| InChIKey |
YXSZZTIBRREMPU-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