General Information of the Compound
| Compound ID |
CP0686566
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| Compound Name |
N1-(2-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethyl)-N1-isopropylpropane-1,3-diamine hydrochloride
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| Structure |
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| Formula |
C28H38ClN7O2
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| Molecular Weight |
540.112
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN(CCCN)C(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C28H37N7O2.ClH/c1-20(2)34(10-6-9-29)11-12-35(23-13-24(36-4)16-25(14-23)37-5)22-7-8-26-27(15-22)32-28(18-30-26)21-17-31-33(3)19-21;/h7-8,13-20H,6,9-12,29H2,1-5H3;1H
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| InChIKey |
FTRYOTCWDVTGOU-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