General Information of the Compound
| Compound ID |
CP0508588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzooxazol-2-yl-{5-[4,5-bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-ethyl-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34N4O3S
|
||||||||||||||||||
| Molecular Weight |
542.705
|
||||||||||||||||||
| Canonical SMILES |
CCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2ccccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34N4O3S/c1-4-35(31-32-26-10-6-7-11-27(26)38-31)20-8-5-9-21-39-30-33-28(22-12-16-24(36-2)17-13-22)29(34-30)23-14-18-25(37-3)19-15-23/h6-7,10-19H,4-5,8-9,20-21H2,1-3H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODOBCFFQEAXLPC-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