General Information of the Compound
| Compound ID |
CP0847435
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-{7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29FN4O5S
|
||||||||||||||||||
| Molecular Weight |
516.595
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(OCCN2CC3CN(CCNS(=O)(=O)c4ccc5c(c4)CCO5)CC(C2)O3)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29FN4O5S/c26-23-11-18(13-27)1-3-25(23)34-10-8-30-16-20-14-29(15-21(17-30)35-20)7-6-28-36(31,32)22-2-4-24-19(12-22)5-9-33-24/h1-4,11-12,20-21,28H,5-10,14-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FSQOJADNTXFIDT-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