General Information of the Compound
| Compound ID |
CP0499716
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| Compound Name |
1-(4-chlorophenyl)-3-(3-isopropyl-2-methyl-5-oxo-1-(quinolin-3-yl)-2,5-dihydro-1H-pyrazol-4-yl)urea
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| Structure |
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| Formula |
C23H22ClN5O2
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| Molecular Weight |
435.915
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| Canonical SMILES |
CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2cnc3ccccc3c2)n1C
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| InChI |
InChI=1S/C23H22ClN5O2/c1-14(2)21-20(27-23(31)26-17-10-8-16(24)9-11-17)22(30)29(28(21)3)18-12-15-6-4-5-7-19(15)25-13-18/h4-14H,1-3H3,(H2,26,27,31)
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| InChIKey |
DADHGAUCQHEAGZ-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