General Information of the Compound
| Compound ID |
CP0664760
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| Compound Name |
2-((3,5-dimethoxyphenyl)(3-(1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethanol
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| Structure |
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| Formula |
C27H32N6O3
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| Molecular Weight |
488.592
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| Canonical SMILES |
COc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(C5CCN(C)CC5)c4)nc3c2)c1
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| InChI |
InChI=1S/C27H32N6O3/c1-31-8-6-20(7-9-31)33-18-19(16-29-33)27-17-28-25-5-4-21(14-26(25)30-27)32(10-11-34)22-12-23(35-2)15-24(13-22)36-3/h4-5,12-18,20,34H,6-11H2,1-3H3
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| InChIKey |
IMRAJPPXPOXARE-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