General Information of the Compound
| Compound ID |
CP0440689
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| Compound Name |
N-[3-(furan-2-yl)phenyl]-1-(4-methoxyphenyl)-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H19N3O4
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| Molecular Weight |
389.411
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| Canonical SMILES |
COc1ccc(cc1)N1N=C(C)C(C(=O)Nc2cccc(c2)-c2ccco2)C1=O
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| InChI |
InChI=1S/C22H19N3O4/c1-14-20(22(27)25(24-14)17-8-10-18(28-2)11-9-17)21(26)23-16-6-3-5-15(13-16)19-7-4-12-29-19/h3-13,20H,1-2H3,(H,23,26)
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| InChIKey |
QZXYZEDIRMCFCW-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