General Information of the Compound
| Compound ID |
CP0404623
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| Compound Name |
1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-phenyl-urea
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| Structure |
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| Formula |
C17H14F6N2O3
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| Molecular Weight |
408.298
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| Canonical SMILES |
FC(F)(F)COc1cc(NC(=O)Nc2ccccc2)cc(OCC(F)(F)F)c1
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| InChI |
InChI=1S/C17H14F6N2O3/c18-16(19,20)9-27-13-6-12(7-14(8-13)28-10-17(21,22)23)25-15(26)24-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,24,25,26)
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| InChIKey |
PXWNITNHJVSBTL-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8