General Information of the Compound
| Compound ID |
CP0228464
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-(pyridin-2-yl)piperazin-1-yl)(3-(pyridin-2-ylethynyl)phenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20N4O
|
||||||||||||||||||
| Molecular Weight |
368.44
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#Cc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20N4O/c28-23(27-16-14-26(15-17-27)22-9-2-4-13-25-22)20-7-5-6-19(18-20)10-11-21-8-1-3-12-24-21/h1-9,12-13,18H,14-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKRSKXWMVPWLPO-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