General Information of the Compound
| Compound ID |
CP0717323
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| Compound Name |
N1-(3,5-dimethoxyphenyl)-N2-methyl-N1-(3-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)quinoxalin-6-yl)ethane-1,2-diamine hydrochloride
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| Structure |
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| Formula |
C28H35ClN6O3
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| Molecular Weight |
539.08
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| Canonical SMILES |
CNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CC4CCOCC4)c3)nc2c1.Cl
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| InChI |
InChI=1S/C28H34N6O3.ClH/c1-29-8-9-34(23-12-24(35-2)15-25(13-23)36-3)22-4-5-26-27(14-22)32-28(17-30-26)21-16-31-33(19-21)18-20-6-10-37-11-7-20;/h4-5,12-17,19-20,29H,6-11,18H2,1-3H3;1H
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| InChIKey |
ZFKDHRXSKPFOCM-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