General Information of the Compound
| Compound ID |
CP0534050
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-hydroxy-2-thiophen-2-ylethyl)-6-[4-(2-methylbenzoyl)piperidin-1-yl]pyridazine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N4O3S
|
||||||||||||||||||
| Molecular Weight |
450.564
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N4O3S/c1-16-5-2-3-6-18(16)23(30)17-10-12-28(13-11-17)22-9-8-19(26-27-22)24(31)25-15-20(29)21-7-4-14-32-21/h2-9,14,17,20,29H,10-13,15H2,1H3,(H,25,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXJDBXBFXWUNBP-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