General Information of the Compound
| Compound ID |
CP0485183
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[2-oxo-3-(phenylcarbamoylamino)-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]morpholine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31N5O4
|
||||||||||||||||||
| Molecular Weight |
513.598
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCc2ccccc2N(Cc2cccc(NC(=O)N3CCOCC3)c2)C1=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31N5O4/c35-27-25(32-28(36)30-23-9-2-1-3-10-23)14-13-22-8-4-5-12-26(22)34(27)20-21-7-6-11-24(19-21)31-29(37)33-15-17-38-18-16-33/h1-12,19,25H,13-18,20H2,(H,31,37)(H2,30,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCBJSPJNKCAVLT-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