General Information of the Compound
| Compound ID |
CP0413201
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| Compound Name |
8-[6-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]pyridin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C27H29FN6O4
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| Molecular Weight |
520.565
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2cccc(F)c2)nc1
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| InChI |
InChI=1S/C27H29FN6O4/c1-3-10-32-25-23(26(36)33(11-4-2)27(32)37)30-24(31-25)18-8-9-21(29-14-18)38-16-17-12-22(35)34(15-17)20-7-5-6-19(28)13-20/h5-9,13-14,17H,3-4,10-12,15-16H2,1-2H3,(H,30,31)
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| InChIKey |
VESWEOVBAAYQLB-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