General Information of the Compound
| Compound ID |
CP0880975
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| Compound Name |
8-chloro-3-(4-fluorobutyl)-3,7-dihydro-1H-purine-2,6-dione
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| Structure |
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| Formula |
C9H10ClFN4O2
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| Molecular Weight |
260.656
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| Canonical SMILES |
O=c1[nH]c(=O)n(CCCCF)c2nc(Cl)[nH]c12
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| InChI |
InChI=1S/C9H10ClFN4O2/c10-8-12-5-6(13-8)15(4-2-1-3-11)9(17)14-7(5)16/h1-4H2,(H,12,13)(H,14,16,17)
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| InChIKey |
XXPLSWHVETUHKP-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