General Information of the Compound
| Compound ID |
CP0514434
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| Compound Name |
4-(1,3-Dimethyl-6-oxo-2-thioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-butyric acid
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| Structure |
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| Formula |
C11H14N4O3S
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| Molecular Weight |
282.325
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| Canonical SMILES |
Cn1c2nc(CCCC(O)=O)[nH]c2c(=O)n(C)c1=S
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| InChI |
InChI=1S/C11H14N4O3S/c1-14-9-8(10(18)15(2)11(14)19)12-6(13-9)4-3-5-7(16)17/h3-5H2,1-2H3,(H,12,13)(H,16,17)
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| InChIKey |
HAHTZBMNUQFBCT-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