General Information of the Compound
| Compound ID |
CP0125946
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| Compound Name |
5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C28H24FN5O4
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| Molecular Weight |
513.529
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| Canonical SMILES |
COc1ccc2c(Oc3ccc(NC(=O)c4c(CN)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
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| InChI |
InChI=1S/C28H24FN5O4/c1-33-23(16-30)26(28(36)34(33)18-6-4-3-5-7-18)27(35)32-17-8-11-25(21(29)14-17)38-24-12-13-31-22-15-19(37-2)9-10-20(22)24/h3-15H,16,30H2,1-2H3,(H,32,35)
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| InChIKey |
RYQBKVFFHMNFTM-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