General Information of the Compound
| Compound ID |
CP0558755
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-[8-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23ClN4
|
||||||||||||||||||
| Molecular Weight |
366.896
|
||||||||||||||||||
| Canonical SMILES |
NCCNc1cc(nc2c(Cl)cccc12)N1CCCc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23ClN4/c22-18-9-3-8-17-19(24-11-10-23)13-20(25-21(17)18)26-12-4-7-15-5-1-2-6-16(15)14-26/h1-3,5-6,8-9,13H,4,7,10-12,14,23H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUPNTFDTXNIWCJ-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