General Information of the Compound
| Compound ID |
CP0829305
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| Compound Name |
2-((3-(1-(3-aminopropyl)-1H-pyrazol-4-yl)quinoxalin-6-yl)(3,5-dimethoxyphenyl)amino)ethanol hydrochloride
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| Structure |
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| Formula |
C24H29ClN6O3
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| Molecular Weight |
484.988
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| Canonical SMILES |
COc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(CCCN)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C24H28N6O3.ClH/c1-32-20-10-19(11-21(13-20)33-2)30(8-9-31)18-4-5-22-23(12-18)28-24(15-26-22)17-14-27-29(16-17)7-3-6-25;/h4-5,10-16,31H,3,6-9,25H2,1-2H3;1H
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| InChIKey |
USEJTVZDKKLZFE-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