General Information of the Compound
| Compound ID |
CP0657946
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| Compound Name |
N2-(3,5-dimethoxyphenyl)-N2-(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)-N1-(2,2,2-trifluoroethyl)propane-1,2-diamine
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| Structure |
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| Formula |
C25H27F3N6O2
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| Molecular Weight |
500.525
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| Canonical SMILES |
COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)C(C)CNCC(F)(F)F)c1
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| InChI |
InChI=1S/C25H27F3N6O2/c1-16(11-29-15-25(26,27)28)34(19-7-20(35-3)10-21(8-19)36-4)18-5-6-22-23(9-18)32-24(13-30-22)17-12-31-33(2)14-17/h5-10,12-14,16,29H,11,15H2,1-4H3
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| InChIKey |
JFHRSPHNHAHHOG-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