General Information of the Compound
| Compound ID |
CP0248703
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| Compound Name |
2-amino-8-(cyclohexyldisulfanyl)-1,7-dihydropurin-6-one
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| Structure |
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| Formula |
C11H15N5OS2
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| Molecular Weight |
297.409
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| Canonical SMILES |
Nc1nc2nc(SSC3CCCCC3)[nH]c2c(=O)[nH]1
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| InChI |
InChI=1S/C11H15N5OS2/c12-10-14-8-7(9(17)16-10)13-11(15-8)19-18-6-4-2-1-3-5-6/h6H,1-5H2,(H4,12,13,14,15,16,17)
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| InChIKey |
UPPJQVDWNHBZEY-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