General Information of the Compound
| Compound ID |
CP0196681
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| Compound Name |
N-[3-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C29H25FN4O4
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| Molecular Weight |
512.541
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| Canonical SMILES |
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1C
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| InChI |
InChI=1S/C29H25FN4O4/c1-17-14-21-23(16-26(17)37-4)31-13-12-24(21)38-25-11-10-19(15-22(25)30)32-28(35)27-18(2)33(3)34(29(27)36)20-8-6-5-7-9-20/h5-16H,1-4H3,(H,32,35)
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| InChIKey |
FIODPWXACNUFML-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