General Information of the Compound
| Compound ID |
CP0508882
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4,6-Dimethyl-1-octylindolin-7-yl)carbamoyl-4-methylpentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H40N2O3
|
||||||||||||||||||
| Molecular Weight |
416.606
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)CCC(O)=O)c(C)cc2C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H40N2O3/c1-6-7-8-9-10-11-15-27-16-13-20-18(2)17-19(3)22(23(20)27)26-24(30)25(4,5)14-12-21(28)29/h17H,6-16H2,1-5H3,(H,26,30)(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEQHFLHCAZXFPF-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