General Information of the Compound
| Compound ID |
CP0409243
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-{2-[3-(3-Cyano-phenyl)-1-(4-cyclohexyl-butyl)-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H39N3O3S
|
||||||||||||||||||
| Molecular Weight |
521.727
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)Nc2cccc(c2)C#N)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H39N3O3S/c1-30(2,28(34)35)37-27-16-14-24(15-17-27)18-20-33(19-7-6-11-23-9-4-3-5-10-23)29(36)32-26-13-8-12-25(21-26)22-31/h8,12-17,21,23H,3-7,9-11,18-20H2,1-2H3,(H,32,36)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VETZYZSDTFDNPF-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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma