General Information of the Compound
| Compound ID |
CP0649783
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| Compound Name |
1-(4-((3-aminopropyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)-2,6-dimethoxyphenyl)-2,2,2-trifluoroethanol
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| Structure |
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| Formula |
C25H27F3N6O3
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| Molecular Weight |
516.524
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| Canonical SMILES |
COc1cc(N(CCCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)cc(OC)c1C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H27F3N6O3/c1-33-14-15(12-31-33)20-13-30-18-6-5-16(9-19(18)32-20)34(8-4-7-29)17-10-21(36-2)23(22(11-17)37-3)24(35)25(26,27)28/h5-6,9-14,24,35H,4,7-8,29H2,1-3H3
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| InChIKey |
DWSQRXVYJVMLAJ-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