General Information of the Compound
| Compound ID |
CP0701268
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| Compound Name |
2-(3-(4-(7-((cyclopropylmethyl)(3,5-dimethoxyphenyl)amino)quinoxalin-2-yl)-1H-pyrazol-1-yl)azetidin-1-yl)ethanol
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| Structure |
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| Formula |
C28H32N6O3
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| Molecular Weight |
500.603
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| Canonical SMILES |
COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C5CN(CCO)C5)c4)nc3c2)c1
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| InChI |
InChI=1S/C28H32N6O3/c1-36-24-9-22(10-25(12-24)37-2)33(15-19-3-4-19)21-5-6-26-27(11-21)31-28(14-29-26)20-13-30-34(16-20)23-17-32(18-23)7-8-35/h5-6,9-14,16,19,23,35H,3-4,7-8,15,17-18H2,1-2H3
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| InChIKey |
HPCVPAAIFAFKQL-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