General Information of the Compound
| Compound ID |
CP0262721
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| Compound Name |
1-ethyl-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-methyl-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 |
CCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C29H25FN4O4/c1-4-33-18(2)27(29(36)34(33)20-8-6-5-7-9-20)28(35)32-19-10-13-26(23(30)16-19)38-25-14-15-31-24-17-21(37-3)11-12-22(24)25/h5-17H,4H2,1-3H3,(H,32,35)
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| InChIKey |
VLSRGLWQHNMOLJ-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