General Information of the Compound
| Compound ID |
CP0383067
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-[3-(4-aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34N6O6S
|
||||||||||||||||||
| Molecular Weight |
558.661
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1cc(OCCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cn(C)cn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34N6O6S/c1-5-9-36-18-11-19(37-10-7-6-8-27)13-20(12-18)38-24-15-23-22(31(3)26(33)32(23)4)14-21(24)29-39(34,35)25-16-30(2)17-28-25/h11-17,29H,5-10,27H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QVUCXHDGQWWKCE-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