General Information of the Compound
| Compound ID |
CP0567094
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| Compound Name |
1,3-dipropyl-8-[4-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynoxy]phenyl]-7H-purine-2,6-dione
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| Structure |
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| Formula |
C27H25F3N4O4
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| Molecular Weight |
526.515
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC#Cc2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C27H25F3N4O4/c1-3-15-33-24-22(25(35)34(16-4-2)26(33)36)31-23(32-24)19-9-13-20(14-10-19)37-17-5-6-18-7-11-21(12-8-18)38-27(28,29)30/h7-14H,3-4,15-17H2,1-2H3,(H,31,32)
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| InChIKey |
HWYHUGPEUOGANS-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