General Information of the Compound
| Compound ID |
CP0454570
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3900038
Show/Hide
|
||||||||||||||||||
| Formula |
C23H27NO5
|
||||||||||||||||||
| Molecular Weight |
397.471
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27NO5/c25-22(26)17-28-15-18-11-13-19(14-12-18)16-29-23(27)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,18-19H,11-17H2,(H,25,26)/t18-,19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDJMTGQHKNDISN-KDURUIRLSA-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: PT02279, Prostacyclin receptor
Protein ID: PT05707, Prostacyclin receptor
Protein ID: PT01054, Prostaglandin D2 receptor