General Information of the Compound
| Compound ID |
CP0213191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-hydroxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b,e][1,4]-diazepin-11(10H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17N3O3
|
||||||||||||||||||
| Molecular Weight |
347.374
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(O)cc3NC2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17N3O3/c1-26-19-9-12(3-6-15(19)21)11-2-5-14-17(8-11)22-16-7-4-13(24)10-18(16)23-20(14)25/h2-10,22,24H,21H2,1H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAJKSJQSVCOHBH-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