General Information of the Compound
Compound ID |
CP0386315
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
N-[[1-[[4-(cyclohexylsulfonylamino)phenyl]methyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C28H37N3O5S
|
||||||||||||||||||
Molecular Weight |
527.687
|
||||||||||||||||||
Canonical SMILES |
O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1cccc2OCCOc12
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C28H37N3O5S/c32-28(25-7-4-8-26-27(25)36-18-17-35-26)29-19-21-13-15-31(16-14-21)20-22-9-11-23(12-10-22)30-37(33,34)24-5-2-1-3-6-24/h4,7-12,21,24,30H,1-3,5-6,13-20H2,(H,29,32)
Show/Hide
|
||||||||||||||||||
InChIKey |
KHEWHPPMWZFSSJ-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