General Information of the Compound
| Compound ID |
CP0428874
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-benzofuran-6-ylmethyl-[1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carbonyl]amino]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N2O5
|
||||||||||||||||||
| Molecular Weight |
476.573
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(O)=O)Cc2ccc3ccoc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N2O5/c1-19-13-20(2)15-22(14-19)17-25(31)30-11-9-28(30,3)27(34)29(10-4-5-26(32)33)18-21-6-7-23-8-12-35-24(23)16-21/h6-8,12-16H,4-5,9-11,17-18H2,1-3H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BLPHZINRBPJFLG-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