General Information of the Compound
| Compound ID |
CP0877641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium 2-(6-chloro-3-propyl-1H-indol-1-yl)thiazole-4-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H12ClN2NaO2S
|
||||||||||||||||||
| Molecular Weight |
342.783
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cn(-c2nc(C(=O)[O-])cs2)c2cc(Cl)ccc12.[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H13ClN2O2S.Na/c1-2-3-9-7-18(13-6-10(16)4-5-11(9)13)15-17-12(8-21-15)14(19)20;/h4-8H,2-3H2,1H3,(H,19,20);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJLJQTWZNKMEEY-UHFFFAOYSA-M
|
||||||||||||||||||
| 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