General Information of the Compound
| Compound ID |
CP0748526
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| Compound Name |
N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-N-(3-(3-(trifluoromethyl)pyridin-2-yl)prop-2-ynyl)quinoxalin-6-amine
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| Structure |
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| Formula |
C29H23F3N6O2
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| Molecular Weight |
544.537
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| Canonical SMILES |
COc1cc(OC)cc(N(CC#Cc2ncccc2C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H23F3N6O2/c1-37-18-19(16-35-37)28-17-34-26-9-8-20(14-27(26)36-28)38(21-12-22(39-2)15-23(13-21)40-3)11-5-7-25-24(29(30,31)32)6-4-10-33-25/h4,6,8-10,12-18H,11H2,1-3H3
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| InChIKey |
HLPZBUCKWKGYBH-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