General Information of the Compound
| Compound ID |
CP0673351
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| Compound Name |
N'-[3,5-bis(trideuteriomethoxy)phenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
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| Structure |
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| Formula |
C25H27F3N6O2
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| Molecular Weight |
506.5616107
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| Canonical SMILES |
[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C25H27F3N6O2/c1-33-15-17(13-31-33)24-14-30-22-6-5-18(11-23(22)32-24)34(8-4-7-29-16-25(26,27)28)19-9-20(35-2)12-21(10-19)36-3/h5-6,9-15,29H,4,7-8,16H2,1-3H3/i2D3,3D3
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| InChIKey |
IQAIXSLQDLQWKO-XERRXZQWSA-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