General Information of the Compound
| Compound ID |
CP0125949
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| Compound Name |
N-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C29H25ClN4O5
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| Molecular Weight |
544.995
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| Canonical SMILES |
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)c(Cl)c3)c2cc1OC
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| InChI |
InChI=1S/C29H25ClN4O5/c1-17-27(29(36)34(33(17)2)18-8-6-5-7-9-18)28(35)32-22-11-10-19(14-21(22)30)39-24-12-13-31-23-16-26(38-4)25(37-3)15-20(23)24/h5-16H,1-4H3,(H,32,35)
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| InChIKey |
UMWXVGCBUMYAFH-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