General Property |
Molceule ID (DB) | EGIN0002345 |
Inhibitor Class | Pyrrolo-pyridazine |
Molecule Name in Refrence Article | 7a compound |
IUPAC Name | 4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-N-[2-(diethylamino)ethyl]-3-methyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide |
Formula | C27H30ClFN6O2 |
Mass | 525.018 |
Exact Mass | 524.2102801 |
Composition | C (61.77%), H (5.76%), Cl (6.75%), F (3.62%), N (16.01%), O (6.09%) |
Atom Count | 67 |
PI | 9.37 |
Smiles | c1nnc(c2c1[nH]c(c2C)C(=O)NCCN(CC)CC)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl |
InChI | 1S/C27H30ClFN6O2/c1-4-35(5-2)12-11-30-27(36)25-17(3)24-22(33-25)15-31-34-26(24)32-20-9-10-23(21(28)1
4-20)37-16-18-7-6-8-19(29)13-18/h6-10,13-15,33H,4-5,11-12,16H2,1-3H3,(H,30,36)(H,32,34) |
InChIKey | PBDWKKSYCSLCRJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002345.png) | Structure Backbone | ![](./frame/f_EGIN0002345.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 |
24786207
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Drug Bank Link | - |
ChemSpider Link | 24663862 |
ChEMBL Link | CHEMBL1087368 |