General Information of the Compound
| Compound ID |
CP0530640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-1-(piperidin-1-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31ClN6O
|
||||||||||||||||||
| Molecular Weight |
442.995
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N3CCCCC3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31ClN6O/c24-20-6-4-19(5-7-20)8-10-25-23-26-11-9-21(27-23)29-16-14-28(15-17-29)18-22(31)30-12-2-1-3-13-30/h4-7,9,11H,1-3,8,10,12-18H2,(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UGDOVVZYCODAOQ-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