General Information of the Compound
| Compound ID |
CP0942351
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-cyano-N-{2-[7-(1H-indol-3-yl)methyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N5O3S
|
||||||||||||||||||
| Molecular Weight |
465.579
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(Cc4c[nH]c5ccccc45)CC(C2)O3)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N5O3S/c25-11-18-5-7-22(8-6-18)33(30,31)27-9-10-28-14-20-16-29(17-21(15-28)32-20)13-19-12-26-24-4-2-1-3-23(19)24/h1-8,12,20-21,26-27H,9-10,13-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GONSDAIMSPSEFA-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