General Information of the Compound
| Compound ID |
CP0479912
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]imidazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N4O3
|
||||||||||||||||||
| Molecular Weight |
376.416
|
||||||||||||||||||
| Canonical SMILES |
CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)cn2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N4O3/c1-24-18-9-5-6-10-19(18)28-13-17(21(24)27)23-20(26)16-12-25(14-22-16)11-15-7-3-2-4-8-15/h2-10,12,14,17H,11,13H2,1H3,(H,23,26)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMALKWDSCYKLFE-KRWDZBQOSA-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