General Information of the Compound
| Compound ID |
CP0127522
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| Compound Name |
2-(2-methoxyphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)thio]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C12H10N6O4S
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| Molecular Weight |
334.317
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| Canonical SMILES |
COc1ccccc1-c1nnc(Sc2nc(nn2C)[N+]([O-])=O)o1
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| InChI |
InChI=1S/C12H10N6O4S/c1-17-11(13-10(16-17)18(19)20)23-12-15-14-9(22-12)7-5-3-4-6-8(7)21-2/h3-6H,1-2H3
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| InChIKey |
KIXAQAHEYFGFQB-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: PT01214, Tyrosine-protein kinase JAK2