| General Property |
| Molceule ID (DB) | EGIN0003258 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 1q compound |
| IUPAC Name | 2-{[(3-{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 | 12.47 |
| Smiles | n1cnc2c(c1N)c(cn2c1cccc(c1)CNCCO)c1ccccc1 |
| InChI | 1S/C21H21N5O/c22-20-19-18(16-6-2-1-3-7-16)13-26(21(19)25-14-24-20)17-8-4-5-15(11-17)12-23-9-10-27/h1
-8,11,13-14,23,27H,9-10,12H2,(H2,22,24,25) |
| InChIKey | MDPXBTVEVMPBMF-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 | 10853665 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDC2 | c-Src | Kdr | ALL |
| Pub Chem Link |
10451087
|
| Drug Bank Link | - |
| ChemSpider Link | 8626504 |
| ChEMBL Link | CHEMBL176702 |
