General Information of the Compound
| Compound ID |
CP0393155
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18N4O2S
|
||||||||||||||||||
| Molecular Weight |
342.424
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(c1c[nH]c2c(ccnc12)N1CCNCC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18N4O2S/c22-24(23,13-4-2-1-3-5-13)15-12-20-16-14(6-7-19-17(15)16)21-10-8-18-9-11-21/h1-7,12,18,20H,8-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHIJEAQNOXABCG-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