General Information of the Compound
| Compound ID |
CP0296914
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| Compound Name |
1-(3-tert-Butylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(3-methoxy-phenyl)-urea
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| Structure |
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| Formula |
C14H18N4O2S2
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| Molecular Weight |
338.458
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| Canonical SMILES |
COc1cccc(NC(=O)Nc2nc(SC(C)(C)C)ns2)c1
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| InChI |
InChI=1S/C14H18N4O2S2/c1-14(2,3)21-13-17-12(22-18-13)16-11(19)15-9-6-5-7-10(8-9)20-4/h5-8H,1-4H3,(H2,15,16,17,18,19)
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| InChIKey |
MPCYMWBLAGJBNJ-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