General Information of the Compound
| Compound ID |
CP0428759
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22F3N5O2
|
||||||||||||||||||
| Molecular Weight |
469.467
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22F3N5O2/c25-24(26,27)19-9-5-4-8-18(19)23(34)32-14-12-31(13-15-32)21-11-10-20(29-30-21)22(33)28-16-17-6-2-1-3-7-17/h1-11H,12-16H2,(H,28,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKIBNNYWZAXTRH-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