General Information of the Compound
| Compound ID |
CP0394351
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| Compound Name |
1-(3-Chloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-urea
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| Structure |
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| Formula |
C14H10ClN5OS
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| Molecular Weight |
331.788
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| Canonical SMILES |
Clc1cccc(NC(=O)Nc2nnc(s2)-c2ccncc2)c1
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| InChI |
InChI=1S/C14H10ClN5OS/c15-10-2-1-3-11(8-10)17-13(21)18-14-20-19-12(22-14)9-4-6-16-7-5-9/h1-8H,(H2,17,18,20,21)
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| InChIKey |
WAUBPIYCKFHHSE-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