General Information of the Compound
| Compound ID |
CP0442266
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Naphthalen-1-yl-ethanesulfonic acid [1-(2-pyrrolidin-1-yl-ethyl)-1H-indol-6-yl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N3O2S
|
||||||||||||||||||
| Molecular Weight |
447.604
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(CCc1cccc2ccccc12)Nc1ccc2ccn(CCN3CCCC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N3O2S/c30-32(31,19-13-22-8-5-7-21-6-1-2-9-25(21)22)27-24-11-10-23-12-16-29(26(23)20-24)18-17-28-14-3-4-15-28/h1-2,5-12,16,20,27H,3-4,13-15,17-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUEFBMXPPPGAQL-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