General Information of the Compound
| Compound ID |
CP0181431
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(6-chloro-1-cyclopentyl-2-methylindol-3-yl)sulfanylpyridine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19ClN2O2S
|
||||||||||||||||||
| Molecular Weight |
386.904
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(Cl)cc2n1C1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19ClN2O2S/c1-12-19(26-18-8-4-7-16(22-18)20(24)25)15-10-9-13(21)11-17(15)23(12)14-5-2-3-6-14/h4,7-11,14H,2-3,5-6H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWWKIZBQYGONNF-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