General Information of the Compound
| Compound ID |
CP0498075
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(4-propan-2-ylphenyl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23NO4
|
||||||||||||||||||
| Molecular Weight |
329.396
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(cc1)C(CC(O)=O)NC(=O)c1cc(C)oc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23NO4/c1-11(2)14-5-7-15(8-6-14)17(10-18(21)22)20-19(23)16-9-12(3)24-13(16)4/h5-9,11,17H,10H2,1-4H3,(H,20,23)(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHAACUUOYSPEHD-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