General Information of the Compound
| Compound ID |
CP0515204
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-[2-[2-[[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]sulfanyl]ethoxy]ethylsulfanyl]-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H50N8OS2
|
||||||||||||||||||
| Molecular Weight |
747.051
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1ccc(cc1)-c1nc(SCCOCCSc2nc(c([nH]2)-c2ccc(cc2)N(C)C)-c2ccc(cc2)N(C)C)[nH]c1-c1ccc(cc1)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H50N8OS2/c1-47(2)33-17-9-29(10-18-33)37-38(30-11-19-34(20-12-30)48(3)4)44-41(43-37)52-27-25-51-26-28-53-42-45-39(31-13-21-35(22-14-31)49(5)6)40(46-42)32-15-23-36(24-16-32)50(7)8/h9-24H,25-28H2,1-8H3,(H,43,44)(H,45,46)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJJOFLCUKHYIDF-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound