General Information of the Compound
| Compound ID |
CP0504861
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| Compound Name |
4-[4-[4-(dimethylamino)phenyl]-2-[2-[2-(7H-purin-6-ylsulfanyl)ethoxy]ethylsulfanyl]-1H-imidazol-5-yl]-N,N-dimethylaniline
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| Structure |
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| Formula |
C28H32N8OS2
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| Molecular Weight |
560.753
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1nc(SCCOCCSc2[nH]cnc3ncnc23)[nH]c1-c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C28H32N8OS2/c1-35(2)21-9-5-19(6-10-21)23-24(20-7-11-22(12-8-20)36(3)4)34-28(33-23)39-16-14-37-13-15-38-27-25-26(30-17-29-25)31-18-32-27/h5-12,17-18H,13-16H2,1-4H3,(H,33,34)(H,29,30,31,32)
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| InChIKey |
WFIQDVPAUBZOOG-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