General Information of the Compound
| Compound ID |
CP0805838
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| Compound Name |
N-((5-chlorothiophen-2-yl)methyl)-N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)quinoxalin-6-amine
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| Structure |
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| Formula |
C24H20ClN5O2S
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| Molecular Weight |
477.977
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| Canonical SMILES |
COc1cc(OC)cc(N(Cc2ccc(Cl)s2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
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| InChI |
InChI=1S/C24H20ClN5O2S/c1-31-18-7-17(8-19(10-18)32-2)30(14-20-4-6-24(25)33-20)16-3-5-21-22(9-16)29-23(13-26-21)15-11-27-28-12-15/h3-13H,14H2,1-2H3,(H,27,28)
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| InChIKey |
CKZSTRXMCOYTCV-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