General Property |
Molceule ID (DB) | EGIN0002352 |
Inhibitor Class | Pyrrolo-pyridazine |
Molecule Name in Refrence Article | 18b compound |
IUPAC Name | 7-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide |
Formula | C26H26ClFN6O2 |
Mass | 508.975 |
Exact Mass | 508.17898 |
Composition | C (61.35%), H (5.15%), Cl (6.97%), F (3.73%), N (16.51%), O (6.29%) |
Atom Count | 62 |
PI | 9.09 |
Smiles | c1nnc(Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)c2c1cc([nH]2)C(=O)NCCN1CCCC1 |
InChI | 1S/C26H26ClFN6O2/c27-21-14-20(6-7-23(21)36-16-17-4-3-5-19(28)12-17)31-25-24-18(15-30-33-25)13-22(32-
24)26(35)29-8-11-34-9-1-2-10-34/h3-7,12-15,32H,1-2,8-11,16H2,(H,29,35)(H,31,33) |
InChIKey | SJCQYTOHJMCKJL-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002352.png) | Structure Backbone | ![](./frame/f_EGIN0002352.png) |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 19815412 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
46879474
|
Drug Bank Link | - |
ChemSpider Link | 24660716 |
ChEMBL Link | CHEMBL1080272 |