General Information of the Compound
| Compound ID |
CP0949240
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-(4-(tert-pentyl)phenoxy)propyl)piperazin-1-yl)pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H32N4O
|
||||||||||||||||||
| Molecular Weight |
368.525
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)(C)c1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H32N4O/c1-4-22(2,3)19-7-9-20(10-8-19)27-18-6-13-25-14-16-26(17-15-25)21-23-11-5-12-24-21/h5,7-12H,4,6,13-18H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IBIARUJAKRRZRG-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