General Information of the Compound
| Compound ID |
CP0521886
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino]-heptanoic acid (4-trifluoromethyl-phenyl)-amide(S,S)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32F3N3O4
|
||||||||||||||||||
| Molecular Weight |
495.542
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NC[C@H](O)COc1ccc(NC(C)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32F3N3O4/c1-17(29-15-22(33)16-35-23-13-11-20(12-14-23)30-18(2)32)5-3-4-6-24(34)31-21-9-7-19(8-10-21)25(26,27)28/h7-14,17,22,29,33H,3-6,15-16H2,1-2H3,(H,30,32)(H,31,34)/t17-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WNEIZOXOSDHMKM-JTSKRJEESA-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