General Property |
Molceule ID (DB) | EGIN0004507 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 42f |
IUPAC Name | 7-[2-chloro-4-({5-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]-2,3-dihydro-1H-isoindol-1-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 | 9.47 |
Smiles | c1(c2n(ccc2ncn1)CCC)Nc1ccc(c(c1)Cl)Oc1c2C(=O)NCc2ccc1 |
InChI | 1S/C23H20ClN5O2/c1-2-9-29-10-8-17-21(29)22(27-13-26-17)28-15-6-7-18(16(24)11-15)31-19-5-3-4-14-12-25
-23(30)20(14)19/h3-8,10-11,13H,2,9,12H2,1H3,(H,25,30)(H,26,27,28) |
InChIKey | QGWPDYZDWPRJTO-UHFFFAOYSA-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 | 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 | - |