General Information of the Compound
| Compound ID |
CP0409191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-carboxypropyl)-4,6-dichloro-1H-indole-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H11Cl2NO4
|
||||||||||||||||||
| Molecular Weight |
316.14
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H11Cl2NO4/c14-6-4-8(15)11-7(2-1-3-10(17)18)12(13(19)20)16-9(11)5-6/h4-5,16H,1-3H2,(H,17,18)(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXCLNMLWTQWHFP-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