General Information of the Compound
| Compound ID |
CP0744805
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| Compound Name |
N-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(3-(4-methoxypyrimidin-2-yl)prop-2-ynyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
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| Structure |
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| Formula |
C28H23Cl2N7O3
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| Molecular Weight |
576.444
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| Canonical SMILES |
COc1ccnc(C#CCN(c2ccc3ncc(-c4cnn(C)c4)nc3c2)c2c(Cl)c(OC)cc(OC)c2Cl)n1
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| InChI |
InChI=1S/C28H23Cl2N7O3/c1-36-16-17(14-33-36)21-15-32-19-8-7-18(12-20(19)34-21)37(11-5-6-24-31-10-9-25(35-24)40-4)28-26(29)22(38-2)13-23(39-3)27(28)30/h7-10,12-16H,11H2,1-4H3
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| InChIKey |
CMWXIQFNVQJMQA-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