General Information of the Compound
| Compound ID |
CP0394010
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-(2,4-dimethylimidazol-1-yl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22N4O
|
||||||||||||||||||
| Molecular Weight |
430.511
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn(c(C)n1)-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22N4O/c1-19-18-32(20(2)29-19)24-10-6-9-23(16-24)26-17-28(33)31-27-15-22(13-14-25(27)30-26)12-11-21-7-4-3-5-8-21/h3-10,13-16,18H,17H2,1-2H3,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BNDLOWQLTPXTJB-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