General Information of the Compound
| Compound ID |
CP0849219
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| Compound Name |
8-chloro-1-propyl-3-(2,2,2-trifluoroethyl)-3,7-dihydro-1H-purine-2,6-dione
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| Structure |
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| Formula |
C10H10ClF3N4O2
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| Molecular Weight |
310.663
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| Canonical SMILES |
CCCn1c(=O)c2[nH]c(Cl)nc2n(CC(F)(F)F)c1=O
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| InChI |
InChI=1S/C10H10ClF3N4O2/c1-2-3-17-7(19)5-6(16-8(11)15-5)18(9(17)20)4-10(12,13)14/h2-4H2,1H3,(H,15,16)
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| InChIKey |
NBDATXHOULWTFU-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