| General Property |
| Molceule ID (DB) | EGIN0005028 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 2b |
| IUPAC Name | - |
| Formula | C24H23Cl2N5O4S |
| Mass | 548.442 |
| Exact Mass | 547.084780353 |
| Composition | C (52.56%), H (4.23%), Cl (12.93%), N (12.77%), O (11.67%), S (5.85%) |
| Atom Count | 59 |
| PI | 7.27 |
| Smiles | [H]N(C(=O)[C@]([H])(C([H])([H])[H])S(=O)(=O)C([H])([H])[H])C([H])([H])C([H])([H])N1C([H])=C([H])C2=NC([H])=NC(N([H])C3=C([H])C([H])=C(OC4=C([H])C([H])=C([H])C(Cl)=C4[H])C(Cl)=C3[H])=C12 |
| InChI | 1S/C24H23Cl2N5O4S/c1-15(36(2,33)34)24(32)27-9-11-31-10-8-20-22(31)23(29-14-28-20)30-17-6-7-21(19(26)
13-17)35-18-5-3-4-16(25)12-18/h3-8,10,12-15H,9,11H2,1-2H3,(H,27,32)(H,28,29,30)/t15-/m0/s1 |
| InChIKey | SEXLNNKPTDAAAL-HNNXBMFYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 22980219 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
