General Information of the Compound
| Compound ID |
CP0174408
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| Compound Name |
2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide
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| Structure |
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| Formula |
C12H11N5OS2
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| Molecular Weight |
305.388
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| Canonical SMILES |
CC(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
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| InChI |
InChI=1S/C12H11N5OS2/c1-7(11(13)18)20-10-5-4-9-14-15-12(17(9)16-10)8-3-2-6-19-8/h2-7H,1H3,(H2,13,18)
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| InChIKey |
FAMVTOHABPZSQS-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