General Information of the Compound
| Compound ID |
CP0063599
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N3O5S
|
||||||||||||||||||
| Molecular Weight |
473.595
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(=O)(=O)CC)ccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N3O5S/c1-4-31-23-14-17(6-8-22(23)30-3)16-27-12-10-18(11-13-27)25-24-26-20-15-19(33(28,29)5-2)7-9-21(20)32-24/h6-9,14-15,18H,4-5,10-13,16H2,1-3H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLQBJPKPQBLAOR-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01196, Somatostatin receptor type 5