| General Property |
| Molceule ID (DB) | EGIN0003225 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 4d compound |
| IUPAC Name | 4-{4-amino-7-[(3S)-pyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}phenol |
| Formula | C16H17N5O |
| Mass | 295.3391 |
| Exact Mass | 295.1433102 |
| Composition | C (65.07%), H (5.8%), N (23.71%), O (5.42%) |
| Atom Count | 39 |
| PI | 10.32 |
| Smiles | c12c(c(cn1[C@H]1CCNC1)c1ccc(cc1)O)c(ncn2)N |
| InChI | 1S/C16H17N5O/c17-15-14-13(10-1-3-12(22)4-2-10)8-21(11-5-6-18-7-11)16(14)20-9-19-15/h1-4,8-9,11,18,22
H,5-7H2,(H2,17,19,20)/t11-/m0/s1 |
| InChIKey | AATOPLAJLQECRD-NSHDSACASA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 13740995 |
| ChEMBL Link | CHEMBL354033 |
