General Information of the Compound
| Compound ID |
CP0271607
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(4-chlorophenyl)sulfonyl]-1-piperidin-3-yl-1Hpyrrolo[2,3-b]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
375.881
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)c1cn(C2CCCNC2)c2ncccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18ClN3O2S/c19-13-5-7-15(8-6-13)25(23,24)17-12-22(14-3-1-9-20-11-14)18-16(17)4-2-10-21-18/h2,4-8,10,12,14,20H,1,3,9,11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPALTMJMYGUHON-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