General Information of the Compound
| Compound ID |
CP0773301
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| Compound Name |
N-(3,5-dimethoxyphenyl)-N-((1-(4-methoxypyrimidin-2-yl)piperidin-4-yl)methyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
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| Structure |
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| Formula |
C31H34N8O3
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| Molecular Weight |
566.666
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| Canonical SMILES |
COc1cc(OC)cc(N(CC2CCN(c3nccc(OC)n3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C31H34N8O3/c1-37-20-22(17-34-37)29-18-33-27-6-5-23(15-28(27)35-29)39(24-13-25(40-2)16-26(14-24)41-3)19-21-8-11-38(12-9-21)31-32-10-7-30(36-31)42-4/h5-7,10,13-18,20-21H,8-9,11-12,19H2,1-4H3
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| InChIKey |
FIZPDUVDTGTPFQ-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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2