General Information of the Compound
| Compound ID |
CP0664764
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| Compound Name |
N1-(3,5-dimethoxyphenyl)-N1-(3-(5-ethyl-1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)-N2-(2,2,2-trifluoroethyl)ethane-1,2-diamine
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| Structure |
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| Formula |
C26H29F3N6O2
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| Molecular Weight |
514.552
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| Canonical SMILES |
CCc1c(-c2cnc3ccc(N(CCNCC(F)(F)F)c4cc(OC)cc(OC)c4)cc3n2)cnn1C
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| InChI |
InChI=1S/C26H29F3N6O2/c1-5-25-21(14-32-34(25)2)24-15-31-22-7-6-17(12-23(22)33-24)35(9-8-30-16-26(27,28)29)18-10-19(36-3)13-20(11-18)37-4/h6-7,10-15,30H,5,8-9,16H2,1-4H3
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| InChIKey |
WBZQNSDDLQRNJI-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