General Information of the Compound
| Compound ID |
CP0863084
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(3-(hydroxy(1-propylcyclobutyl)methyl)phenyl)cyclopentyl)hept-5-enoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H39ClO4
|
||||||||||||||||||
| Molecular Weight |
463.058
|
||||||||||||||||||
| Canonical SMILES |
CCCC1(C(O)c2cccc([C@@H]3[C@@H](C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@H]3O)c2)CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H39ClO4/c1-3-14-27(15-9-16-27)26(31)20-11-8-10-19(17-20)25-21(22(28)18-23(25)29)12-6-4-5-7-13-24(30)32-2/h4,6,8,10-11,17,21-23,25-26,29,31H,3,5,7,9,12-16,18H2,1-2H3/b6-4-/t21-,22+,23+,25+,26?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMSYNEAWRKZFHZ-UPBVYHFLSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01819, Thromboxane A2 receptor