General Information of the Compound
| Compound ID |
CP0252497
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| Compound Name |
1-(2,4-Difluoro-phenyl)-3-(3-propylsulfanyl-[1,2,4]thiadiazol-5-yl)-urea
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| Structure |
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| Formula |
C12H12F2N4OS2
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| Molecular Weight |
330.385
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| Canonical SMILES |
CCCSc1nsc(NC(=O)Nc2ccc(F)cc2F)n1
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| InChI |
InChI=1S/C12H12F2N4OS2/c1-2-5-20-12-17-11(21-18-12)16-10(19)15-9-4-3-7(13)6-8(9)14/h3-4,6H,2,5H2,1H3,(H2,15,16,17,18,19)
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| InChIKey |
NMAWSBAETPOPLS-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: PT06172, Mothers against decapentaplegic homolog 3