General Information of the Compound
| Compound ID |
CP0967642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-Chlorophenyl)-2(4({4-[(4-fluorobenzyl)oxy]phenyl}acetyl)amino)indan-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H25ClFNO4
|
||||||||||||||||||
| Molecular Weight |
529.995
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1ccc(OCc2ccc(F)cc2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H25ClFNO4/c32-26-9-7-22(8-10-26)23-5-6-24-17-31(30(36)37,18-25(24)16-23)34-29(35)15-20-3-13-28(14-4-20)38-19-21-1-11-27(33)12-2-21/h1-14,16H,15,17-19H2,(H,34,35)(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQMQVXITOSHINV-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