General Information of the Compound
| Compound ID |
CP0498680
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-hydroxy-2-thiophen-3-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)c1ccsc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N4O3S/c1-16-4-2-3-5-19(16)23(30)17-8-11-28(12-9-17)22-7-6-20(26-27-22)24(31)25-14-21(29)18-10-13-32-15-18/h2-7,10,13,15,17,21,29H,8-9,11-12,14H2,1H3,(H,25,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUOGITYDNCIOEO-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