General Information of the Compound
| Compound ID |
CP0520303
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| Compound Name |
8-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentylsulfanyl}-1,3-dimethyl-3,9-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C29H32N6O4S2
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| Molecular Weight |
592.747
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCSc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C29H32N6O4S2/c1-34-25-24(26(36)35(2)29(34)37)32-28(33-25)41-17-7-5-6-16-40-27-30-22(18-8-12-20(38-3)13-9-18)23(31-27)19-10-14-21(39-4)15-11-19/h8-15H,5-7,16-17H2,1-4H3,(H,30,31)(H,32,33)
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| InChIKey |
QKGHZHWUWFQLQJ-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