General Information of the Compound
| Compound ID |
CP0442117
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| Compound Name |
1-(3-ethyl-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)-3-(3-fluoro-4-methylphenyl)urea
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| Structure |
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| Formula |
C20H21FN4O2
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| Molecular Weight |
368.412
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| Canonical SMILES |
CCc1c(NC(=O)Nc2ccc(C)c(F)c2)c(=O)n(-c2ccccc2)n1C
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| InChI |
InChI=1S/C20H21FN4O2/c1-4-17-18(19(26)25(24(17)3)15-8-6-5-7-9-15)23-20(27)22-14-11-10-13(2)16(21)12-14/h5-12H,4H2,1-3H3,(H2,22,23,27)
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| InChIKey |
CMJJSFWJYMUEIL-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