General Information of the Compound
| Compound ID |
CP0515966
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzooxazol-2-yl-{4-[4,5-bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-butyl}-heptyl-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H42N4O3S
|
||||||||||||||||||
| Molecular Weight |
598.813
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCN(CCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2ccccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H42N4O3S/c1-4-5-6-7-10-23-39(35-36-30-13-8-9-14-31(30)42-35)24-11-12-25-43-34-37-32(26-15-19-28(40-2)20-16-26)33(38-34)27-17-21-29(41-3)22-18-27/h8-9,13-22H,4-7,10-12,23-25H2,1-3H3,(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHWWTBAGTAHDFM-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