General Information of the Compound
| Compound ID |
CP0500875
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| Compound Name |
7-(but-2-ynyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C15H20N6O2
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| Molecular Weight |
316.365
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| Canonical SMILES |
CC#CCn1c(nc2n(C)c(=O)n(C)c(=O)c12)N1CCNCC1
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| InChI |
InChI=1S/C15H20N6O2/c1-4-5-8-21-11-12(18(2)15(23)19(3)13(11)22)17-14(21)20-9-6-16-7-10-20/h16H,6-10H2,1-3H3
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| InChIKey |
JUSIGURQRFKQKK-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