General Information of the Compound
| Compound ID |
CP0325791
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-benzenesulfonyl-1-(1-methyl-pyrrolidin-3-yl)-1Hpyrrolo[2,3-b]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19N3O2S
|
||||||||||||||||||
| Molecular Weight |
341.436
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19N3O2S/c1-20-11-9-14(12-20)21-13-17(16-8-5-10-19-18(16)21)24(22,23)15-6-3-2-4-7-15/h2-8,10,13-14H,9,11-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHBBHOBPEAOEFU-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