| General Property |
| Molceule ID (DB) | EGIN0001761 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 8 Compound |
| IUPAC Name | (1R,3S)-3-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol |
| Formula | C23H22N4O2 |
| Mass | 386.4464 |
| Exact Mass | 386.174276 |
| Composition | C (71.48%), H (5.74%), N (14.5%), O (8.28%) |
| Atom Count | 51 |
| PI | 11.21 |
| Smiles | c12n(cc(c1c(ncn2)N)c1ccc(Oc2ccccc2)cc1)[C@@H]1C[C@@H](CC1)O |
| InChI | 1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1
-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)/t16-,17+/m0/s1 |
| InChIKey | UJWXPHLWGVGIBB-DLBZAZTESA-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 | 11012021 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | lck | PKC | CDC2/CyB | Zap70 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 8538167 11611470 |
| ChEMBL Link | CHEMBL69129 |
