General Information of the Compound
| Compound ID |
CP0331998
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
azepan-1-yl-[3-[(4-chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
434.367
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCCCCC1)c1cccnc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25Cl2N3O2/c23-17-9-7-16(8-10-17)20(19-6-5-11-25-21(19)24)29-18-14-27(15-18)22(28)26-12-3-1-2-4-13-26/h5-11,18,20H,1-4,12-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BJYXXCKPEXLTTG-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