General Information of the Compound
| Compound ID |
CP0496684
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| Compound Name |
6-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-pentylsulfanyl]-7H-purine
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| Structure |
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| Formula |
C25H24N6S2
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| Molecular Weight |
472.643
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| Canonical SMILES |
C(CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCSc1ncnc2nc[nH]c12
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| InChI |
InChI=1S/C25H24N6S2/c1-4-10-18(11-5-1)20-21(19-12-6-2-7-13-19)31-25(30-20)33-15-9-3-8-14-32-24-22-23(27-16-26-22)28-17-29-24/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,30,31)(H,26,27,28,29)
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| InChIKey |
UTKXNQJHIBSTRM-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