General Information of the Compound
| Compound ID |
CP0688464
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| Compound Name |
N-(3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
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| Structure |
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| Formula |
C29H24N8O2
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| Molecular Weight |
516.565
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| Canonical SMILES |
COc1cc(OC)cc(N(CC#Cc2cnc3[nH]ccc3n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H24N8O2/c1-36-18-19(15-33-36)28-17-31-25-7-6-21(13-27(25)35-28)37(22-11-23(38-2)14-24(12-22)39-3)10-4-5-20-16-32-29-26(34-20)8-9-30-29/h6-9,11-18H,10H2,1-3H3,(H,30,32)
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| InChIKey |
JMYSJBYJRVLWPM-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