General Information of the Compound
| Compound ID |
CP0395312
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| Compound Name |
1-(3-tert-butyl-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)-3-(4-chlorophenyl)urea
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| Structure |
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| Formula |
C21H23ClN4O2
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| Molecular Weight |
398.894
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| Canonical SMILES |
Cn1c(c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n1-c1ccccc1)C(C)(C)C
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| InChI |
InChI=1S/C21H23ClN4O2/c1-21(2,3)18-17(24-20(28)23-15-12-10-14(22)11-13-15)19(27)26(25(18)4)16-8-6-5-7-9-16/h5-13H,1-4H3,(H2,23,24,28)
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| InChIKey |
ZLYDOKIRSQSMRT-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