| General Property |
| Molceule ID (DB) | EGIN0004504 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 42i |
| IUPAC Name | N-[3-chloro-4-(1H-indol-4-yloxy)phenyl]-5-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula | C23H20ClN5O |
| Mass | 417.891 |
| Exact Mass | 417.135638 |
| Composition | C (66.1%), H (4.82%), Cl (8.48%), N (16.76%), O (3.83%) |
| Atom Count | 50 |
| PI | 10.74 |
| Smiles | c1(c2n(ccc2ncn1)CCC)Nc1ccc(c(c1)Cl)Oc1c2cc[nH]c2ccc1 |
| InChI | 1S/C23H20ClN5O/c1-2-11-29-12-9-19-22(29)23(27-14-26-19)28-15-6-7-21(17(24)13-15)30-20-5-3-4-18-16(20
)8-10-25-18/h3-10,12-14,25H,2,11H2,1H3,(H,26,27,28) |
| InChIKey | TWUNCZUNFVFFQV-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 | - |
