General Information of the Compound
| Compound ID |
CP0405482
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-carboxyethyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14FNO4
|
||||||||||||||||||
| Molecular Weight |
327.311
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCc1c([nH]c2cc(ccc12)-c1ccc(F)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14FNO4/c19-12-4-1-10(2-5-12)11-3-6-13-14(7-8-16(21)22)17(18(23)24)20-15(13)9-11/h1-6,9,20H,7-8H2,(H,21,22)(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LBGYRNMKIAZKER-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