General Property |
Molceule ID (DB) | EGIN0004505 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 42h |
IUPAC Name | 4-[2-chloro-4-({5-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]-2,3-dihydro-1H-indol-2-one |
Formula | C23H20ClN5O2 |
Mass | 433.89 |
Exact Mass | 433.1305526 |
Composition | C (63.67%), H (4.65%), Cl (8.17%), N (16.14%), O (7.37%) |
Atom Count | 51 |
PI | 9.11 |
Smiles | c1(c2n(ccc2ncn1)CCC)Nc1ccc(c(c1)Cl)Oc1c2CC(=O)Nc2ccc1 |
InChI | 1S/C23H20ClN5O2/c1-2-9-29-10-8-18-22(29)23(26-13-25-18)27-14-6-7-20(16(24)11-14)31-19-5-3-4-17-15(19
)12-21(30)28-17/h3-8,10-11,13H,2,9,12H2,1H3,(H,28,30)(H,25,26,27) |
InChIKey | HSWJWXXKEIMCNF-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004505.png) | Structure Backbone | ![](./frame/f_EGIN0004505.png) |
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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 | 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 | - |