General Information of the Compound
Compound ID |
CP0429934
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
4-[4-[(2,8-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-ethylbenzamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C24H30N4O3
|
||||||||||||||||||
Molecular Weight |
422.529
|
||||||||||||||||||
Canonical SMILES |
CCNC(=O)c1ccc(cc1)N1CCN(Cc2cc(C)c3OC(C)C(=O)Nc3c2)CC1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C24H30N4O3/c1-4-25-24(30)19-5-7-20(8-6-19)28-11-9-27(10-12-28)15-18-13-16(2)22-21(14-18)26-23(29)17(3)31-22/h5-8,13-14,17H,4,9-12,15H2,1-3H3,(H,25,30)(H,26,29)
Show/Hide
|
||||||||||||||||||
InChIKey |
JOXGAKHVVVHYRB-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