General Information of the Compound
| Compound ID |
CP0896618
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(4'-Methylbiphenyl-3-ylmethylamino)phenyl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23NO2
|
||||||||||||||||||
| Molecular Weight |
345.442
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2cccc(CNc3ccc(CCC(=O)O)cc3)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23NO2/c1-17-5-10-20(11-6-17)21-4-2-3-19(15-21)16-24-22-12-7-18(8-13-22)9-14-23(25)26/h2-8,10-13,15,24H,9,14,16H2,1H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMUUFRDTPRFAER-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