General Information of the Compound
| Compound ID |
CP0700917
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| Compound Name |
N-(3,5-dimethoxyphenyl)-N-(3-(4-isopropoxypyrimidin-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 |
C30H29N7O3
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| Molecular Weight |
535.608
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| Canonical SMILES |
COc1cc(OC)cc(N(CC#Cc2nccc(OC(C)C)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C30H29N7O3/c1-20(2)40-30-10-11-31-29(35-30)7-6-12-37(23-13-24(38-4)16-25(14-23)39-5)22-8-9-26-27(15-22)34-28(18-32-26)21-17-33-36(3)19-21/h8-11,13-20H,12H2,1-5H3
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| InChIKey |
QHWNOTNFJRKXDT-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