| General Property |
| Molceule ID (DB) | EGIN0003231 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 4m compound |
| IUPAC Name | 2-[(3R)-3-[4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidin-1-yl]acetamide |
| Formula | C18H20N6O2 |
| Mass | 352.3904 |
| Exact Mass | 352.1647739 |
| Composition | C (61.35%), H (5.72%), N (23.85%), O (9.08%) |
| Atom Count | 46 |
| PI | 8.8 |
| Smiles | c12n(cc(c1c(ncn2)N)c1cc(O)ccc1)[C@H]1CN(CC(=O)N)CC1 |
| InChI | 1S/C18H20N6O2/c19-15(26)9-23-5-4-12(7-23)24-8-14(11-2-1-3-13(25)6-11)16-17(20)21-10-22-18(16)24/h1-3
,6,8,10,12,25H,4-5,7,9H2,(H2,19,26)(H2,20,21,22)/t12-/m1/s1 |
| InChIKey | UUEYTEZBJWMVIQ-GFCCVEGCSA-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 | v-Abl | c-Src | ALL |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 13740997 |
| ChEMBL Link | CHEMBL408683 |
