General Information of the Compound
| Compound ID |
CP0037080
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ether-based lactam, 19b
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
416.308
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19Cl2N3O2/c1-13(2)25-11-12-28-20-18(21(25)27)24-26(17-6-4-3-5-16(17)23)19(20)14-7-9-15(22)10-8-14/h3-10,13H,11-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICKXKXNHQRHUMS-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