| General Property |
| Molceule ID (DB) | EGIN0003257 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 1o compound |
| IUPAC Name | 2-{[(2-{4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl}phenyl)methyl]amino}ethan-1-ol |
| Formula | C21H21N5O |
| Mass | 359.4243 |
| Exact Mass | 359.1746103 |
| Composition | C (70.17%), H (5.89%), N (19.48%), O (4.45%) |
| Atom Count | 48 |
| PI | 12.43 |
| Smiles | n1cnc2c(c1N)c(cn2c1ccccc1CNCCO)c1ccccc1 |
| InChI | 1S/C21H21N5O/c22-20-19-17(15-6-2-1-3-7-15)13-26(21(19)25-14-24-20)18-9-5-4-8-16(18)12-23-10-11-27/h1
-9,13-14,23,27H,10-12H2,(H2,22,24,25) |
| InChIKey | PISPWRJZOUBGAI-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 | 10853665 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDC2 | c-Src | ALL |
| Pub Chem Link |
44385035
|
| Drug Bank Link | - |
| ChemSpider Link | 18932154 |
| ChEMBL Link | CHEMBL176470 |
