General Information of the Compound
| Compound ID |
CP0664765
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| Compound Name |
2-(3-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)prop-1-ynyl)isonicotinamide
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| Structure |
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| Formula |
C29H25N7O3
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| Molecular Weight |
519.565
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| Canonical SMILES |
COc1cc(OC)cc(N(CC#Cc2cc(C(N)=O)ccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H25N7O3/c1-35-18-20(16-33-35)28-17-32-26-7-6-22(14-27(26)34-28)36(23-12-24(38-2)15-25(13-23)39-3)10-4-5-21-11-19(29(30)37)8-9-31-21/h6-9,11-18H,10H2,1-3H3,(H2,30,37)
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| InChIKey |
YXAFWGPKAAKJHB-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