General Information of the Compound
| Compound ID |
CP0200082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-[(2-chloropyridin-3-yl)-(3,4-dichlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22Cl3N3O2
|
||||||||||||||||||
| Molecular Weight |
454.785
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1Cl)C(OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22Cl3N3O2/c22-17-7-6-14(11-18(17)23)19(16-5-4-8-25-20(16)24)29-15-12-27(13-15)21(28)26-9-2-1-3-10-26/h4-8,11,15,19H,1-3,9-10,12-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZTLHZQHIQDIOX-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