General Information of the Compound
| Compound ID |
CP0114899
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-[4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoylamino]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35NO4
|
||||||||||||||||||
| Molecular Weight |
425.569
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35NO4/c1-25(2,3)18-26(4,5)20-12-14-22(15-13-20)31-16-8-11-23(28)27-21-10-7-9-19(17-21)24(29)30-6/h7,9-10,12-15,17H,8,11,16,18H2,1-6H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RJDGJBQHQLDKNJ-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