General Information of the Compound
| Compound ID |
CP0579867
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-bromo-N-[4-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33BrN4O3
|
||||||||||||||||||
| Molecular Weight |
577.523
|
||||||||||||||||||
| Canonical SMILES |
Brc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33BrN4O3/c31-26-8-2-1-7-25(26)29(36)32-24-13-11-23(12-14-24)30(37)35-18-6-17-34(27-9-3-4-10-28(27)35)16-5-15-33-19-21-38-22-20-33/h1-4,7-14H,5-6,15-22H2,(H,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZDZYBRPQIZKAC-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 | |||||||||||||||||||
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