General Information of the Compound
| Compound ID |
CP0958894
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-Bromo benzenesulfonyl)-3-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine Dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21BrCl2N4O2S
|
||||||||||||||||||
| Molecular Weight |
508.269
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.O=S(=O)(c1ccccc1Br)n1cc(CN2CCNCC2)c2ncccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19BrN4O2S.2ClH/c19-15-4-1-2-6-17(15)26(24,25)23-13-14(12-22-10-8-20-9-11-22)18-16(23)5-3-7-21-18;;/h1-7,13,20H,8-12H2;2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQMGORWROCAKTR-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