General Information of the Compound
| Compound ID |
CP0522333
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(8-morpholino-4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22N4O2
|
||||||||||||||||||
| Molecular Weight |
446.51
|
||||||||||||||||||
| Canonical SMILES |
O=C1CC(=Nc2cc(N3CCOCC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22N4O2/c29-19-21-7-4-8-22(15-21)24-18-28(33)31-25-16-23(10-9-20-5-2-1-3-6-20)27(17-26(25)30-24)32-11-13-34-14-12-32/h1-8,15-17H,11-14,18H2,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FGNZXALQOFFQIB-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