General Information of the Compound
| Compound ID |
CP0683614
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| Compound Name |
N1-(3-(1H-pyrazol-4-yl)quinoxalin-6-yl)-N1-(2,5-dimethoxyphenyl)ethane-1,2-diamine hydrochloride
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| Structure |
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| Formula |
C21H23ClN6O2
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| Molecular Weight |
426.908
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| Canonical SMILES |
COc1ccc(OC)c(N(CCN)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C21H22N6O2.ClH/c1-28-16-4-6-21(29-2)20(10-16)27(8-7-22)15-3-5-17-18(9-15)26-19(13-23-17)14-11-24-25-12-14;/h3-6,9-13H,7-8,22H2,1-2H3,(H,24,25);1H
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| InChIKey |
UPLOKKOTKRYIAA-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