General Information of the Compound
| Compound ID |
CP0451824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5aR)-10,11-dichloro-9-methoxy-1,2,3,4,5,5a,6,7-octahydro-[1,4]diazepino[1,2-a]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H18Cl2N2O
|
||||||||||||||||||
| Molecular Weight |
301.217
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CC[C@@H]3CNCCCN3c2c(Cl)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H18Cl2N2O/c1-19-11-7-9-3-4-10-8-17-5-2-6-18(10)14(9)13(16)12(11)15/h7,10,17H,2-6,8H2,1H3/t10-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXZIRKVMBRRCCK-SNVBAGLBSA-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