General Information of the Compound
| Compound ID |
CP0698847
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| Compound Name |
N-(3,5-dimethoxyphenyl)-3-(1-isopropyl-1H-pyrazol-4-yl)-N-(3-(3-methoxypyridin-2-yl)prop-2-ynyl)quinoxalin-6-amine
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| Structure |
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| Formula |
C31H30N6O3
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| Molecular Weight |
534.62
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| Canonical SMILES |
COc1cc(OC)cc(N(CC#Cc2ncccc2OC)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1
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| InChI |
InChI=1S/C31H30N6O3/c1-21(2)37-20-22(18-34-37)30-19-33-27-11-10-23(16-29(27)35-30)36(24-14-25(38-3)17-26(15-24)39-4)13-7-8-28-31(40-5)9-6-12-32-28/h6,9-12,14-21H,13H2,1-5H3
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| InChIKey |
SRWBBPJNBPSOFD-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