General Information of the Compound
| Compound ID |
CP0549941
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-fluoro-N-[(2S)-1-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24FN3O3
|
||||||||||||||||||
| Molecular Weight |
397.45
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](CN1CCC2(CC1)OC(=O)Nc1ccccc21)NC(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24FN3O3/c1-15(24-20(27)16-6-8-17(23)9-7-16)14-26-12-10-22(11-13-26)18-4-2-3-5-19(18)25-21(28)29-22/h2-9,15H,10-14H2,1H3,(H,24,27)(H,25,28)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNIGCQKMLQLPDE-HNNXBMFYSA-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 | |||||||||||||||||||
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: PT01943, Phospholipase D1
Protein ID: PT01153, Phospholipase D2