General Information of the Compound
| Compound ID |
CP0250533
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| Compound Name |
1-[3-(diethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C18H20F3N3O3S
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| Molecular Weight |
415.437
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| Canonical SMILES |
CCN(CC)S(=O)(=O)c1cccc(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C18H20F3N3O3S/c1-3-24(4-2)28(26,27)16-10-6-9-15(12-16)23-17(25)22-14-8-5-7-13(11-14)18(19,20)21/h5-12H,3-4H2,1-2H3,(H2,22,23,25)
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| InChIKey |
YFHMEHGGLJWWGN-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8