General Information of the Compound
| Compound ID |
CP0704131
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| Compound Name |
1-(1-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)-3-methylbutan-2-yloxy)-3-methylbutan-2-ol hydrochloride
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| Structure |
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| Formula |
C30H40ClN5O4
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| Molecular Weight |
570.134
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| Canonical SMILES |
COc1cc(OC)cc(N(CC(OCC(O)C(C)C)C(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C30H39N5O4.ClH/c1-19(2)29(36)18-39-30(20(3)4)17-35(23-10-24(37-6)13-25(11-23)38-7)22-8-9-26-27(12-22)33-28(15-31-26)21-14-32-34(5)16-21;/h8-16,19-20,29-30,36H,17-18H2,1-7H3;1H
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| InChIKey |
YZVNOXBDHLASCO-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