General Information of the Compound
| Compound ID |
CP0511442
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(7-(2-(2-fluorophenyl)ethynyl)-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H14FN3O
|
||||||||||||||||||
| Molecular Weight |
379.394
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccccc1C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H14FN3O/c25-20-7-2-1-5-18(20)10-8-16-9-11-21-23(13-16)28-24(29)14-22(27-21)19-6-3-4-17(12-19)15-26/h1-7,9,11-13H,14H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GFDYBTKFCSJSMR-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