General Information of the Compound
| Compound ID |
CP0945207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium 2-(6-chloro-3-neopentyl-1H-indol-1-yl)thiazole-4-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16ClN2NaO2S
|
||||||||||||||||||
| Molecular Weight |
370.837
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)Cc1cn(-c2nc(C(=O)[O-])cs2)c2cc(Cl)ccc12.[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17ClN2O2S.Na/c1-17(2,3)7-10-8-20(14-6-11(18)4-5-12(10)14)16-19-13(9-23-16)15(21)22;/h4-6,8-9H,7H2,1-3H3,(H,21,22);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GHCSPZXAWFRQEZ-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