General Information of the Compound
| Compound ID |
CP0196680
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| Compound Name |
N-[5-(7-methoxyquinolin-4-yl)oxypyridin-2-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C27H23N5O4
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| Molecular Weight |
481.512
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| Canonical SMILES |
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
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| InChI |
InChI=1S/C27H23N5O4/c1-17-25(27(34)32(31(17)2)18-7-5-4-6-8-18)26(33)30-24-12-10-20(16-29-24)36-23-13-14-28-22-15-19(35-3)9-11-21(22)23/h4-16H,1-3H3,(H,29,30,33)
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| InChIKey |
NJPZYQYDYUEVPF-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