General Information of the Compound
| Compound ID |
CP0037078
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
lactam-based compound, 12e
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
414.336
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)N1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21Cl2N3O/c1-22(2,3)26-13-12-16-19(21(26)28)25-27(18-7-5-4-6-17(18)24)20(16)14-8-10-15(23)11-9-14/h4-11H,12-13H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFIZIOKGQULDPV-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