General Information of the Compound
| Compound ID |
CP0393825
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| Compound Name |
1-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)-3-(4-(methylthio)phenyl)urea
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| Structure |
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| Formula |
C19H20N4O2S
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| Molecular Weight |
368.462
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| Canonical SMILES |
CSc1ccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
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| InChI |
InChI=1S/C19H20N4O2S/c1-13-17(18(24)23(22(13)2)15-7-5-4-6-8-15)21-19(25)20-14-9-11-16(26-3)12-10-14/h4-12H,1-3H3,(H2,20,21,25)
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| InChIKey |
JIGMZPONXCJZIR-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