General Information of the Compound
| Compound ID |
CP0900084
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-{2-(4-Fluorophenyl)-2-[(pyridin-2-ylmethyl)amino]ethyl}piperazin-1-yl)pyridin-2-yl-methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26FN5O
|
||||||||||||||||||
| Molecular Weight |
419.504
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1ccccn1)N1CCN(CC(NCc2ccccn2)c2ccc(F)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26FN5O/c25-20-9-7-19(8-10-20)23(28-17-21-5-1-3-11-26-21)18-29-13-15-30(16-14-29)24(31)22-6-2-4-12-27-22/h1-12,23,28H,13-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWZXSKJTJMAUGP-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