General Information of the Compound
| Compound ID |
CP0939769
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-6-(2',5'-dichlorobiphenyl-4-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
401.253
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2c1C(=O)N(c1ccc(-c3cc(Cl)ccc3Cl)cc1)CCO2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14Cl2N4O2/c20-12-3-6-15(21)14(9-12)11-1-4-13(5-2-11)25-7-8-27-18-16(19(25)26)17(22)23-10-24-18/h1-6,9-10H,7-8H2,(H2,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTKGWVMREVEQPO-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