General Information of the Compound
| Compound ID |
CP0007698
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxypyridin-3-yl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31N3O6S
|
||||||||||||||||||
| Molecular Weight |
477.583
|
||||||||||||||||||
| Canonical SMILES |
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2C[C@H](C)O[C@H](C)C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31N3O6S/c1-15-11-26(12-16(2)32-15)5-6-31-22-9-17(7-19-13-30-14-20(19)22)18-8-21(25-33(4,27)28)23(29-3)24-10-18/h7-10,15-16,25H,5-6,11-14H2,1-4H3/t15-,16+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJSJWQRNGIEJLC-IYBDPMFKSA-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