| General Property |
| Molceule ID (DB) | EGIN0003230 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 4l compound |
| IUPAC Name | methyl 2-[(3R)-3-[4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidin-1-yl]acetate |
| Formula | C19H21N5O3 |
| Mass | 367.4017 |
| Exact Mass | 367.1644396 |
| Composition | C (62.11%), H (5.76%), N (19.06%), O (13.06%) |
| Atom Count | 48 |
| PI | 8.55 |
| Smiles | c12n(cc(c1c(ncn2)N)c1cc(O)ccc1)[C@H]1CN(CC(=O)OC)CC1 |
| InChI | 1S/C19H21N5O3/c1-27-16(26)10-23-6-5-13(8-23)24-9-15(12-3-2-4-14(25)7-12)17-18(20)21-11-22-19(17)24/h
2-4,7,9,11,13,25H,5-6,8,10H2,1H3,(H2,20,21,22)/t13-/m1/s1 |
| InChIKey | NMCRRFLWJZUPRE-CYBMUJFWSA-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 | 11277536 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Src | v-Abl | ALL |
| Pub Chem Link |
23240660
|
| Drug Bank Link | - |
| ChemSpider Link | 23238674 |
| ChEMBL Link | CHEMBL355019 |
