General Information of the Compound
| Compound ID |
CP0498596
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Chloro-3'-((2-cyclobutyl-1-oxoisoindolin-5-yloxy)methyl)biphenyl-3-carboxylic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22ClNO4
|
||||||||||||||||||
| Molecular Weight |
447.918
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22ClNO4/c27-24-10-7-18(13-23(24)26(30)31)17-4-1-3-16(11-17)15-32-21-8-9-22-19(12-21)14-28(25(22)29)20-5-2-6-20/h1,3-4,7-13,20H,2,5-6,14-15H2,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLNCSHRPBPSZBX-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