General Information of the Compound
| Compound ID |
CP0529099
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| Compound Name |
1-(2-ethyl-3-isopropyl-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 |
CCn1c(C(C)C)c(NC(=O)Nc2ccc(C)c(F)c2)c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C22H25FN4O2/c1-5-26-20(14(2)3)19(21(28)27(26)17-9-7-6-8-10-17)25-22(29)24-16-12-11-15(4)18(23)13-16/h6-14H,5H2,1-4H3,(H2,24,25,29)
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| InChIKey |
NNZGZRJBRZYXCJ-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