General Information of the Compound
| Compound ID |
CP0947165
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-6-(2'-chloro-4'-methylbiphenyl-4-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17ClN4O2
|
||||||||||||||||||
| Molecular Weight |
380.835
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17ClN4O2/c1-12-2-7-15(16(21)10-12)13-3-5-14(6-4-13)25-8-9-27-19-17(20(25)26)18(22)23-11-24-19/h2-7,10-11H,8-9H2,1H3,(H2,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWNNDINVVSFFKP-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