General Information of the Compound
| Compound ID |
CP0403828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl N-[3-[[2-oxo-3-(phenylcarbamoylamino)-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N4O4
|
||||||||||||||||||
| Molecular Weight |
458.518
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N4O4/c1-34-26(33)28-21-12-7-8-18(16-21)17-30-23-13-6-5-9-19(23)14-15-22(24(30)31)29-25(32)27-20-10-3-2-4-11-20/h2-13,16,22H,14-15,17H2,1H3,(H,28,33)(H2,27,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UDUGFTQZXRYOFX-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