General Information of the Compound
| Compound ID |
CP0549381
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[(2,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-quinolin-2-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N3O
|
||||||||||||||||||
| Molecular Weight |
373.5
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccc3ccccc3n2)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N3O/c1-18-8-9-21(19(2)16-18)17-26-12-5-13-27(15-14-26)24(28)23-11-10-20-6-3-4-7-22(20)25-23/h3-4,6-11,16H,5,12-15,17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLWQEQLUGYXNFJ-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