General Information of the Compound
| Compound ID |
CP0465304
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-phenylpropyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26F3N5O2
|
||||||||||||||||||
| Molecular Weight |
497.521
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26F3N5O2/c27-26(28,29)21-11-5-4-10-20(21)25(36)34-17-15-33(16-18-34)23-13-12-22(31-32-23)24(35)30-14-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-13H,6,9,14-18H2,(H,30,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWSWGFLZVRYNMI-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