General Information of the Compound
| Compound ID |
CP0702421
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| Compound Name |
N1-(3,5-dimethoxyphenyl)-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 |
C27H33ClN6O3
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| Molecular Weight |
525.053
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C27H32N6O3.ClH/c1-34-23-11-22(12-24(14-23)35-2)33(8-7-28)21-3-4-25-26(13-21)31-27(16-29-25)20-15-30-32(18-20)17-19-5-9-36-10-6-19;/h3-4,11-16,18-19H,5-10,17,28H2,1-2H3;1H
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| InChIKey |
YZPMZRINXXEBGH-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