General Information of the Compound
| Compound ID |
CP0534575
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-chlorophenyl)-6-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethynyl]pyridazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22ClN3O
|
||||||||||||||||||
| Molecular Weight |
403.913
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(nn1)C#Cc1ccc(OCCN2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22ClN3O/c25-21-8-6-20(7-9-21)24-14-11-22(26-27-24)10-3-19-4-12-23(13-5-19)29-18-17-28-15-1-2-16-28/h4-9,11-14H,1-2,15-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IRFKZBKEOYHSAN-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