General Information of the Compound
| Compound ID |
CP0870418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(4-(hydroxy(1-propylcyclobutyl)methyl)phenyl)cyclopentyl)hept-5-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H37ClO4
|
||||||||||||||||||
| Molecular Weight |
449.031
|
||||||||||||||||||
| Canonical SMILES |
CCCC1(C(O)c2ccc([C@@H]3[C@@H](C/C=C\CCCC(=O)O)[C@H](Cl)C[C@H]3O)cc2)CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H37ClO4/c1-2-14-26(15-7-16-26)25(31)19-12-10-18(11-13-19)24-20(21(27)17-22(24)28)8-5-3-4-6-9-23(29)30/h3,5,10-13,20-22,24-25,28,31H,2,4,6-9,14-17H2,1H3,(H,29,30)/b5-3-/t20-,21+,22+,24+,25?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILHOKXFOVAGWCG-PBNZNZKVSA-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