General Information of the Compound
| Compound ID |
CP0416072
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(1H-indol-5-yl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N2O4S
|
||||||||||||||||||
| Molecular Weight |
492.641
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](Cc1cccc(c1)-c1ccc2[nH]ccc2c1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N2O4S/c31-25(9-7-24-8-11-27(32)30(24)14-16-35-15-2-5-28(33)34)18-20-3-1-4-21(17-20)22-6-10-26-23(19-22)12-13-29-26/h1,3-4,6-7,9-10,12-13,17,19,24-25,29,31H,2,5,8,11,14-16,18H2,(H,33,34)/b9-7+/t24-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NUXMYQHRAUGVMF-RSURJUNSSA-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: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype