General Information of the Compound
| Compound ID |
CP0479613
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(2,5-dimethylphenyl)-1-methylindol-5-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C20H21NO2
|
||||||||||||||||||
| Molecular Weight |
307.393
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C)c(c1)-c1cc2cc(CCC(O)=O)ccc2n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21NO2/c1-13-4-5-14(2)17(10-13)19-12-16-11-15(7-9-20(22)23)6-8-18(16)21(19)3/h4-6,8,10-12H,7,9H2,1-3H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDBLTEPZMFXOMA-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 | |||||||||||||||||||
| 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