General Information of the Compound
| Compound ID |
CP0557483
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((4-Chlorophenyl)thio)-1-ethyl-5-methyl-1H-indole-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16ClNO2S
|
||||||||||||||||||
| Molecular Weight |
345.851
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(C(O)=O)c(Sc2ccc(Cl)cc2)c2cc(C)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16ClNO2S/c1-3-20-15-9-4-11(2)10-14(15)17(16(20)18(21)22)23-13-7-5-12(19)6-8-13/h4-10H,3H2,1-2H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AGJAKWDRWIQCTO-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