General Information of the Compound
| Compound ID |
CP0737875
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| Compound Name |
N1-(2,6-difluoro-3,5-dimethoxyphenyl)-N1-(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)-N3-(2,2,2-trifluoroethyl)propane-1,3-diamine
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| Structure |
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| Formula |
C25H25F5N6O2
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| Molecular Weight |
536.505
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| Canonical SMILES |
COc1cc(OC)c(F)c(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1F
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| InChI |
InChI=1S/C25H25F5N6O2/c1-35-13-15(11-33-35)19-12-32-17-6-5-16(9-18(17)34-19)36(8-4-7-31-14-25(28,29)30)24-22(26)20(37-2)10-21(38-3)23(24)27/h5-6,9-13,31H,4,7-8,14H2,1-3H3
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| InChIKey |
GLLVJFAKHOOPKT-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