General Information of the Compound
| Compound ID |
CP0311030
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-6-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18ClN7O2S2
|
||||||||||||||||||
| Molecular Weight |
487.998
|
||||||||||||||||||
| Canonical SMILES |
Clc1nc2sccn2c1S(=O)(=O)n1ccc2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18ClN7O2S2/c21-18-19(26-7-8-31-20(26)25-18)32(29,30)28-6-3-16-17(28)9-13(10-23-16)14-11-24-27(12-14)15-1-4-22-5-2-15/h3,6-12,15,22H,1-2,4-5H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IHQDEVWBUXDZQZ-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