General Information of the Compound
| Compound ID |
CP0686864
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| Compound Name |
3-((3-(1H-pyrazol-4-yl)quinoxalin-6-yl)(3-(2,2,2-trifluoroethylamino)propyl)amino)-5-methoxyphenol hydrochloride
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| Structure |
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| Formula |
C23H24ClF3N6O2
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| Molecular Weight |
508.932
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| Canonical SMILES |
COc1cc(O)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C23H23F3N6O2.ClH/c1-34-19-8-17(7-18(33)10-19)32(6-2-5-27-14-23(24,25)26)16-3-4-20-21(9-16)31-22(13-28-20)15-11-29-30-12-15;/h3-4,7-13,27,33H,2,5-6,14H2,1H3,(H,29,30);1H
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| InChIKey |
CWIHDWFIQHZJAZ-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