General Information of the Compound
| Compound ID |
CP0374845
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| Compound Name |
1-(3-isopropyl-2-methyl-5-oxo-1-(quinolin-3-yl)-2,5-dihydro-1H-pyrazol-4-yl)-3-(4-(methylthio)phenyl)urea
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| Structure |
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| Formula |
C24H25N5O2S
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| Molecular Weight |
447.564
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| Canonical SMILES |
CSc1ccc(NC(=O)Nc2c(C(C)C)n(C)n(-c3cnc4ccccc4c3)c2=O)cc1
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| InChI |
InChI=1S/C24H25N5O2S/c1-15(2)22-21(27-24(31)26-17-9-11-19(32-4)12-10-17)23(30)29(28(22)3)18-13-16-7-5-6-8-20(16)25-14-18/h5-15H,1-4H3,(H2,26,27,31)
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| InChIKey |
AMJWADKSEJNOBY-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