General Information of the Compound
| Compound ID |
CP0440082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-hydroxy-2-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrrolidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28N4O5
|
||||||||||||||||||
| Molecular Weight |
488.544
|
||||||||||||||||||
| Canonical SMILES |
CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCC(C1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28N4O5/c1-2-6-21-23(29-35-24(21)18-7-4-3-5-8-18)26-28-25(30-36-26)19-11-9-17(10-12-19)22(32)16-31-14-13-20(15-31)27(33)34/h3-5,7-12,20,22,32H,2,6,13-16H2,1H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FTIRVEBTARAWRH-UHFFFAOYSA-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