General Information of the Compound
| Compound ID |
CP0068761
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| Compound Name |
MLS000069752
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| Synonyms |
NSC-1771
Thiram
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| Structure |
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| Formula |
C6H12N2S4
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| Molecular Weight |
240.444
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| Canonical SMILES |
CN(C)C(=S)SSC(=S)N(C)C
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| InChI |
InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
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| InChIKey |
KUAZQDVKQLNFPE-UHFFFAOYSA-N
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| CAS |
137-26-8
12680-07-8
12680-62-5
39456-80-9
56645-31-9
66173-72-6
93196-73-7
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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: PT04868, Lysyl oxidase homolog 2
Protein ID: PT05466, Lysyl oxidase homolog 3
Protein ID: PT05764, Protein-lysine 6-oxidase
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Clinical Information about the Compound