General Information of the Compound
| Compound ID |
CP0490851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C52H80FN9O14
|
||||||||||||||||||
| Molecular Weight |
1074.259
|
||||||||||||||||||
| Canonical SMILES |
COCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CCN(C(=O)c3cn4nc(cc(C(C)C)c4n3)-c3ccc(F)cc3)C(C)(C)C2)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C52H80FN9O14/c1-41(2)45-36-46(42-6-8-43(53)9-7-42)57-62-38-47(55-50(45)62)51(65)61-14-13-59(40-52(61,3)4)49(64)11-10-48(63)54-12-16-67-18-20-69-22-24-71-26-28-73-30-32-75-34-35-76-33-31-74-29-27-72-25-23-70-21-19-68-17-15-60-37-44(39-66-5)56-58-60/h6-9,36-38,41H,10-35,39-40H2,1-5H3,(H,54,63)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RJQXBYCRHMXGKB-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