General Information of the Compound
| Compound ID |
CP0541743
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| Compound Name |
1-(3-isopropyl-2-methyl-5-oxo-1-(pyrimidin-5-yl)-2,5-dihydro-1H-pyrazol-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
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| Structure |
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| Formula |
C19H19F3N6O2
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| Molecular Weight |
420.395
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| Canonical SMILES |
CC(C)c1c(NC(=O)Nc2ccc(cc2)C(F)(F)F)c(=O)n(-c2cncnc2)n1C
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| InChI |
InChI=1S/C19H19F3N6O2/c1-11(2)16-15(17(29)28(27(16)3)14-8-23-10-24-9-14)26-18(30)25-13-6-4-12(5-7-13)19(20,21)22/h4-11H,1-3H3,(H2,25,26,30)
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| InChIKey |
JDLHWKCJCULUHF-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