General Information of the Compound
| Compound ID |
CP0529790
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-(3,4-dichlorophenyl)-3-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
518.485
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1C(=O)N1CCC(CCN2CC(C2)N2CCOCC2)(C1)c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33Cl2N3O3/c1-34-25-5-3-2-4-22(25)26(33)32-11-9-27(19-32,20-6-7-23(28)24(29)16-20)8-10-30-17-21(18-30)31-12-14-35-15-13-31/h2-7,16,21H,8-15,17-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YNLIOWZCZIJVMD-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