General Information of the Compound
| Compound ID |
CP0854698
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(Phenylsulfonyl)-3-[(4-methyl-1-piperazinyl)methyl]-1H-indole Dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25Cl2N3O2S
|
||||||||||||||||||
| Molecular Weight |
442.412
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N3O2S.2ClH/c1-21-11-13-22(14-12-21)15-17-16-23(20-10-6-5-9-19(17)20)26(24,25)18-7-3-2-4-8-18;;/h2-10,16H,11-15H2,1H3;2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
POHCCWAHRSYSQC-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