General Information of the Compound
| Compound ID |
CP0542272
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| Compound Name |
1-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
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| Structure |
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| Formula |
C19H17F3N4O2
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| Molecular Weight |
390.365
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| Canonical SMILES |
Cc1c(NC(=O)Nc2ccc(cc2)C(F)(F)F)c(=O)n(-c2ccccc2)n1C
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| InChI |
InChI=1S/C19H17F3N4O2/c1-12-16(17(27)26(25(12)2)15-6-4-3-5-7-15)24-18(28)23-14-10-8-13(9-11-14)19(20,21)22/h3-11H,1-2H3,(H2,23,24,28)
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| InChIKey |
VDFYTTNKIGUUJB-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