General Information of the Compound
| Compound ID |
CP0076899
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-methylindol-3-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25NO3
|
||||||||||||||||||
| Molecular Weight |
351.446
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc(Cn2c(C)c(CCC(O)=O)c3ccccc23)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25NO3/c1-14(2)19-12-16(8-10-21(19)24)13-23-15(3)17(9-11-22(25)26)18-6-4-5-7-20(18)23/h4-8,10,12,14,24H,9,11,13H2,1-3H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCFNGFLMPGVJJA-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