General Information of the Compound
| Compound ID |
CP0401429
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| Compound Name |
8-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentylsulfanyl}-9H-purine
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| Structure |
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| Formula |
C27H28N6O2S2
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| Molecular Weight |
532.695
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCSc2nc3ncncc3[nH]2)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H28N6O2S2/c1-34-20-10-6-18(7-11-20)23-24(19-8-12-21(35-2)13-9-19)32-27(31-23)37-15-5-3-4-14-36-26-30-22-16-28-17-29-25(22)33-26/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,31,32)(H,28,29,30,33)
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| InChIKey |
LFCFCIJOZVAJCP-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