| General Property |
| Molceule ID (DB) | EGIN0002319 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | (5S)-5-[3-(benzyloxy)phenyl]-7-[(1s,3s)-3-(pyrrolidin-1-yl)cyclobutyl]-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C27H31N5O |
| Mass | 441.5679 |
| Exact Mass | 441.2528606 |
| Composition | C (73.44%), H (7.08%), N (15.86%), O (3.62%) |
| Atom Count | 64 |
| PI | No isoelectric point. |
| Smiles | c1(ncnc2c1[C@@H](CN2[C@H]1C[C@H](C1)N1CCCC1)c1cc(ccc1)OCc1ccccc1)N |
| InChI | 1S/C27H31N5O/c28-26-25-24(20-9-6-10-23(13-20)33-17-19-7-2-1-3-8-19)16-32(27(25)30-18-29-26)22-14-21(
15-22)31-11-4-5-12-31/h1-3,6-10,13,18,21-22,24H,4-5,11-12,14-17H2,(H2,28,29,30)/t21-,22+,24-/m0/s1 |
| InChIKey | DUGCMVRVFDNQEO-ZDXQCDESSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 19610618 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PDGFR | VEGFR2 or BCR-ABL p210 | c-KIT | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
