General Information of the Compound
| Compound ID |
CP0686497
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| Compound Name |
N-(3,5-dimethoxyphenyl)-N-(2-(2,4-dimethyl-1H-imidazol-1-yl)ethyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C27H30ClN7O2
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| Molecular Weight |
520.037
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| Canonical SMILES |
COc1cc(OC)cc(N(CCn2cc(C)nc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C27H29N7O2.ClH/c1-18-16-33(19(2)30-18)8-9-34(22-10-23(35-4)13-24(11-22)36-5)21-6-7-25-26(12-21)31-27(15-28-25)20-14-29-32(3)17-20;/h6-7,10-17H,8-9H2,1-5H3;1H
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| InChIKey |
KFJVJRYTWRDUKS-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