| General Property |
| Molceule ID (DB) | EGIN0003260 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 1r compound |
| IUPAC Name | 2-[({4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl}methyl)amino]ethan-1-ol |
| Formula | C22H23N5O2 |
| Mass | 389.4503 |
| Exact Mass | 389.185175 |
| Composition | C (67.85%), H (5.95%), N (17.98%), O (8.22%) |
| Atom Count | 52 |
| PI | 12.42 |
| Smiles | n1cnc2c(c1N)c(cn2c1ccc(cc1)CNCCO)c1cc(ccc1)OC |
| InChI | 1S/C22H23N5O2/c1-29-18-4-2-3-16(11-18)19-13-27(22-20(19)21(23)25-14-26-22)17-7-5-15(6-8-17)12-24-9-1
0-28/h2-8,11,13-14,24,28H,9-10,12H2,1H3,(H2,23,25,26) |
| InChIKey | QGPSFIYTQAONCS-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 | Kdr | CDC2 | v-Abl | c-Src | ALL |
| Pub Chem Link |
44384964
|
| Drug Bank Link | - |
| ChemSpider Link | 23240515 |
| ChEMBL Link | CHEMBL424375 |
