General Information of the Compound
| Compound ID |
CP0239930
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S)-4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenoxycarbonylpyrrolidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28N2O6
|
||||||||||||||||||
| Molecular Weight |
512.562
|
||||||||||||||||||
| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(cc1)[C@H]1CN(C[C@@H]1C(O)=O)C(=O)Oc1ccccc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H28N2O6/c1-20-27(31-28(37-20)22-8-4-2-5-9-22)16-17-36-23-14-12-21(13-15-23)25-18-32(19-26(25)29(33)34)30(35)38-24-10-6-3-7-11-24/h2-15,25-26H,16-19H2,1H3,(H,33,34)/t25-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDPGFIVFMYGKKG-FTJBHMTQSA-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