General Information of the Compound
| Compound ID |
CP0512241
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| Compound Name |
5-(2,3-difluorobenzylthio)-2-aminothiazolo[4,5-d]pyrimidin-7-ol
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| Structure |
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| Formula |
C12H8F2N4OS2
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| Molecular Weight |
326.353
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| Canonical SMILES |
Nc1nc2nc(SCc3cccc(F)c3F)[nH]c(=O)c2s1
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| InChI |
InChI=1S/C12H8F2N4OS2/c13-6-3-1-2-5(7(6)14)4-20-12-17-9-8(10(19)18-12)21-11(15)16-9/h1-3H,4H2,(H3,15,16,17,18,19)
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| InChIKey |
SFLIILJRMUOVNE-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