| General Property |
| Molceule ID (DB) | EGIN0005027 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 2a |
| IUPAC Name | N-[2-[4-[3-chloro-4-(3-chlorophenoxy)anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide |
| Formula | C23H21Cl2N5O4S |
| Mass | 534.415 |
| Exact Mass | 533.069130289 |
| Composition | C (51.69%), H (3.96%), Cl (13.27%), N (13.1%), O (11.98%), S (6%) |
| Atom Count | 56 |
| PI | 7.1 |
| Smiles | CS(=O)(=O)CC(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC(=CC=C4)Cl)Cl |
| InChI | 1S/C23H21Cl2N5O4S/c1-35(32,33)13-21(31)26-8-10-30-9-7-19-22(30)23(28-14-27-19)29-16-5-6-20(18(25)12-
16)34-17-4-2-3-15(24)11-17/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,26,31)(H,27,28,29) |
| InChIKey | RSJIZNRDILNEMO-UHFFFAOYSA-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 |
11678194
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
