General Information of the Compound
| Compound ID |
CP0489541
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-benzylpiperidin-4-yl)-3-(phenylsulfonyl)-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N2O2S
|
||||||||||||||||||
| Molecular Weight |
430.573
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(c1cn(C2CCN(Cc3ccccc3)CC2)c2ccccc12)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N2O2S/c29-31(30,23-11-5-2-6-12-23)26-20-28(25-14-8-7-13-24(25)26)22-15-17-27(18-16-22)19-21-9-3-1-4-10-21/h1-14,20,22H,15-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIZUMIGDRUBUIF-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