General Information of the Compound
| Compound ID |
CP0550930
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| Compound Name |
1-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol
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| Structure |
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| Formula |
C12H16N8O
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| Molecular Weight |
288.315
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| Canonical SMILES |
CCC(O)Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1
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| InChI |
InChI=1S/C12H16N8O/c1-3-7(21)6-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-4-5-15-20/h4-5,7,21H,3,6H2,1-2H3,(H2,13,16,17)
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| InChIKey |
AHNTZNKPFIDJQY-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