General Information of the Compound
| Compound ID |
CP0397832
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3890685
Show/Hide
|
||||||||||||||||||
| Formula |
C23H25ClFNO5
|
||||||||||||||||||
| Molecular Weight |
449.906
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25ClFNO5/c24-20-12-19(10-11-21(20)25)26(18-4-2-1-3-5-18)23(29)31-14-17-8-6-16(7-9-17)13-30-15-22(27)28/h1-5,10-12,16-17H,6-9,13-15H2,(H,27,28)/t16-,17-
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRKJNRVVXRLPRD-QAQDUYKDSA-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