General Information of the Compound
| Compound ID |
CP0512242
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| Compound Name |
5-(benzylthio)thiazolo[4,5-d]pyrimidine-2,7-diamine
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| Structure |
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| Formula |
C12H11N5S2
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| Molecular Weight |
289.389
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| Canonical SMILES |
Nc1nc2nc(SCc3ccccc3)nc(N)c2s1
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| InChI |
InChI=1S/C12H11N5S2/c13-9-8-10(16-11(14)19-8)17-12(15-9)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17)
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| InChIKey |
FDNXRODGTKLOEH-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