General Information of the Compound
| Compound ID |
CP0378018
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-(4-Ethoxy-2-methoxy-benzoyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N2O5
|
||||||||||||||||||
| Molecular Weight |
410.47
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N2O5/c1-3-29-18-8-9-19(21(14-18)28-2)22(26)24-12-10-17(11-13-24)25-20-7-5-4-6-16(20)15-30-23(25)27/h4-9,14,17H,3,10-13,15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUYHHCMCZVLAMB-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