General Information of the Compound
| Compound ID |
CP0548580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-propan-2-yloxyphenyl]pyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N6O2
|
||||||||||||||||||
| Molecular Weight |
456.55
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(cc2)C#N)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N6O2/c1-19(2)34-25-8-7-22(15-23(25)30-26(33)24-17-28-9-10-29-24)32-13-11-31(12-14-32)18-21-5-3-20(16-27)4-6-21/h3-10,15,17,19H,11-14,18H2,1-2H3,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNLLHMBYSIKXSE-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