General Information of the Compound
| Compound ID |
CP0383571
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| Compound Name |
2-cyclopropyl-7-((5-methyl-4H-1,2,4-triazol-3-ylthio)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C12H12N6OS2
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| Molecular Weight |
320.403
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| Canonical SMILES |
Cc1nnc(SCc2cc(=O)n3nc(sc3n2)C2CC2)[nH]1
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| InChI |
InChI=1S/C12H12N6OS2/c1-6-13-11(16-15-6)20-5-8-4-9(19)18-12(14-8)21-10(17-18)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,15,16)
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| InChIKey |
CDBFXSWRIGCJIW-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