General Information of the Compound
| Compound ID |
CP0123594
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| Compound Name |
N-[5-(7-methoxyquinolin-4-yl)oxypyridin-2-yl]-1-methyl-3-oxo-2-phenyl-5-pyrazin-2-ylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C30H23N7O4
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| Molecular Weight |
545.559
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| Canonical SMILES |
COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cnccn5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
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| InChI |
InChI=1S/C30H23N7O4/c1-36-28(24-18-31-14-15-33-24)27(30(39)37(36)19-6-4-3-5-7-19)29(38)35-26-11-9-21(17-34-26)41-25-12-13-32-23-16-20(40-2)8-10-22(23)25/h3-18H,1-2H3,(H,34,35,38)
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| InChIKey |
DMUUMPYJFUHKCR-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