General Information of the Compound
| Compound ID |
CP0770859
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| Compound Name |
N-(3-((3-(1H-pyrazol-4-yl)quinoxalin-6-yl)(3,5-dimethoxyphenyl)amino)propyl)-2,2,2-trifluoroacetamide, 2,2,2-trifluoroacetate salt
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| Structure |
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| Formula |
C26H24F6N6O5
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| Molecular Weight |
614.503
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCNC(=O)C(F)(F)F)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N6O3.C2HF3O2/c1-35-18-8-17(9-19(11-18)36-2)33(7-3-6-28-23(34)24(25,26)27)16-4-5-20-21(10-16)32-22(14-29-20)15-12-30-31-13-15;3-2(4,5)1(6)7/h4-5,8-14H,3,6-7H2,1-2H3,(H,28,34)(H,30,31);(H,6,7)
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| InChIKey |
WMIKNCHTXHYPGV-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