| General Property |
| Molceule ID (DB) | EGIN0005029 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 2c |
| IUPAC Name | N-[2-[4-[3-chloro-4-(3-chlorophenoxy)anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methyl-2-methylsulfonylpropanamide |
| Formula | C25H25Cl2N5O4S |
| Mass | 562.468 |
| Exact Mass | 561.100430417 |
| Composition | C (53.38%), H (4.48%), Cl (12.61%), N (12.45%), O (11.38%), S (5.7%) |
| Atom Count | 62 |
| PI | 9.98 |
| Smiles | CC(C)(C(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC(=CC=C4)Cl)Cl)S(=O)(=O)C |
| InChI | 1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(
27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31) |
| InChIKey | UVBKNBPCVRBUTF-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 |
57496699
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
