General Information of the Compound
| Compound ID |
CP0114005
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| Compound Name |
N-[5-(7-methoxyquinolin-4-yl)oxypyridin-2-yl]-1-methyl-5-(oxan-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C31H29N5O5
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| Molecular Weight |
551.603
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| Canonical SMILES |
COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOCC5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
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| InChI |
InChI=1S/C31H29N5O5/c1-35-29(20-13-16-40-17-14-20)28(31(38)36(35)21-6-4-3-5-7-21)30(37)34-27-11-9-23(19-33-27)41-26-12-15-32-25-18-22(39-2)8-10-24(25)26/h3-12,15,18-20H,13-14,16-17H2,1-2H3,(H,33,34,37)
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| InChIKey |
QAXSZRIWQDFFMT-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