General Information of the Compound
| Compound ID |
CP0877964
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-Bromobenzenesulfonyl)-5-bromo-3-[(4-methylpiperazin-1-yl)ethyl]-1H-indole Dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25Br2Cl2N3O2S
|
||||||||||||||||||
| Molecular Weight |
614.231
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCc2cn(S(=O)(=O)c3ccccc3Br)c3ccc(Br)cc23)CC1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23Br2N3O2S.2ClH/c1-24-10-12-25(13-11-24)9-8-16-15-26(20-7-6-17(22)14-18(16)20)29(27,28)21-5-3-2-4-19(21)23;;/h2-7,14-15H,8-13H2,1H3;2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNTNKKSAYFYPNH-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