| General Property |
| Molceule ID (DB) | EGIN0004501 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 42m |
| IUPAC Name | N-[4-(1,2-benzothiazol-4-yloxy)-3-chlorophenyl]-5-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula | C22H18ClN5OS |
| Mass | 435.929 |
| Exact Mass | 435.0920586 |
| Composition | C (60.61%), H (4.16%), Cl (8.13%), N (16.07%), O (3.67%), S (7.36%) |
| Atom Count | 48 |
| PI | 10.88 |
| Smiles | c1(c2n(ccc2ncn1)CCC)Nc1ccc(c(c1)Cl)Oc1c2cnsc2ccc1 |
| InChI | 1S/C22H18ClN5OS/c1-2-9-28-10-8-17-21(28)22(25-13-24-17)27-14-6-7-19(16(23)11-14)29-18-4-3-5-20-15(18
)12-26-30-20/h3-8,10-13H,2,9H2,1H3,(H,24,25,27) |
| InChIKey | ACYKYUAWQNOODK-UHFFFAOYSA-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 | 22439974 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
