General Information of the Compound
| Compound ID |
CP0010841
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| Compound Name |
1-(3-Ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(3-fluoro-phenyl)-urea
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| Structure |
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| Formula |
C11H11FN4OS2
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| Molecular Weight |
298.368
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| Canonical SMILES |
CCSc1nsc(NC(=O)Nc2cccc(F)c2)n1
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| InChI |
InChI=1S/C11H11FN4OS2/c1-2-18-11-15-10(19-16-11)14-9(17)13-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H2,13,14,15,16,17)
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| InChIKey |
BFKGAYAKPZQXFE-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: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8