General Information of the Compound
| Compound ID |
CP0532343
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| Compound Name |
1-(3-tert-butyl-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 |
C22H25FN4O2
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| Molecular Weight |
396.466
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| Canonical SMILES |
Cc1ccc(NC(=O)Nc2c(n(C)n(-c3ccccc3)c2=O)C(C)(C)C)cc1F
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| InChI |
InChI=1S/C22H25FN4O2/c1-14-11-12-15(13-17(14)23)24-21(29)25-18-19(22(2,3)4)26(5)27(20(18)28)16-9-7-6-8-10-16/h6-13H,1-5H3,(H2,24,25,29)
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| InChIKey |
PUOZWUWRDXNGKQ-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