General Information of the Compound
| Compound ID |
CP0672724
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| Compound Name |
N1-(3-(1H-pyrazol-4-yl)quinoxalin-6-yl)-N1-(3,5-dimethoxyphenyl)-N3-(2,2,2-trifluoroethyl)propane-1,3-diamine
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| Structure |
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| Formula |
C24H25F3N6O2
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| Molecular Weight |
486.498
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
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| InChI |
InChI=1S/C24H25F3N6O2/c1-34-19-8-18(9-20(11-19)35-2)33(7-3-6-28-15-24(25,26)27)17-4-5-21-22(10-17)32-23(14-29-21)16-12-30-31-13-16/h4-5,8-14,28H,3,6-7,15H2,1-2H3,(H,30,31)
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| InChIKey |
MUDOCUNTLILGNS-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