General Information of the Compound
| Compound ID |
CP0388556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 7-(2-hydroxyethyl)-6-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N5O6
|
||||||||||||||||||
| Molecular Weight |
507.547
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1c(c(CCO)n2nc(cc(-c3ccccc3)c12)N1CCOCC1)-c1nc(CCO)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N5O6/c1-2-36-26(34)23-22(25-27-20(9-13-33)29-37-25)19(8-12-32)31-24(23)18(17-6-4-3-5-7-17)16-21(28-31)30-10-14-35-15-11-30/h3-7,16,32-33H,2,8-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZECYWJRNPDQQDM-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