General Information of the Compound
| Compound ID |
CP0951848
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| Compound Name |
8-chloro-1-(4,4,4-trifluorobutyl)-3-(2,2,2-trifluoroethyl)-3,7-dihydro-1H-purine-2,6-dione
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| Structure |
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| Formula |
C11H9ClF6N4O2
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| Molecular Weight |
378.66
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| Canonical SMILES |
O=c1c2[nH]c(Cl)nc2n(CC(F)(F)F)c(=O)n1CCCC(F)(F)F
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| InChI |
InChI=1S/C11H9ClF6N4O2/c12-8-19-5-6(20-8)22(4-11(16,17)18)9(24)21(7(5)23)3-1-2-10(13,14)15/h1-4H2,(H,19,20)
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| InChIKey |
KNEKKPAZJOFOEQ-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