General Information of the Compound
| Compound ID |
CP0950928
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(pyrrolidin-1-yl)-7-m-tolylheptan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H27NO
|
||||||||||||||||||
| Molecular Weight |
273.42
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(CCCCCCC(=O)N2CCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H27NO/c1-16-9-8-11-17(15-16)10-4-2-3-5-12-18(20)19-13-6-7-14-19/h8-9,11,15H,2-7,10,12-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LBVALFMOECMORH-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