General Information of the Compound
| Compound ID |
CP0858044
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| Compound Name |
8-chloro-3-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
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| Structure |
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| Formula |
C10H13ClN4O2
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| Molecular Weight |
256.693
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| Canonical SMILES |
CC(C)CCn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21
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| InChI |
InChI=1S/C10H13ClN4O2/c1-5(2)3-4-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h5H,3-4H2,1-2H3,(H,12,13)(H,14,16,17)
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| InChIKey |
NCLSUDNPUAQNGG-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