General Information of the Compound
| Compound ID |
CP0921736
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-((1R,2R,5S)-2-chloro-5-(4-(1-hydroxypentyl)phenyl)cyclopentyl)heptanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H35ClO3
|
||||||||||||||||||
| Molecular Weight |
394.983
|
||||||||||||||||||
| Canonical SMILES |
CCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H35ClO3/c1-2-3-9-22(25)18-13-11-17(12-14-18)19-15-16-21(24)20(19)8-6-4-5-7-10-23(26)27/h11-14,19-22,25H,2-10,15-16H2,1H3,(H,26,27)/t19-,20-,21-,22?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWEKRKHBRJMOBG-NJTYFVPYSA-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