General Property |
Molceule ID (DB) | EGIN0002243 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
Formula | C20H15N5OS |
Mass | 373.431 |
Exact Mass | 373.0997308 |
Composition | C (64.33%), H (4.05%), N (18.75%), O (4.28%), S (8.59%) |
Atom Count | 42 |
PI | 8.99 |
Smiles | c1c(ccc(c1)c1nc2c(s1)cccc2)Nc1nc(nc2c1cc[nH]2)OC |
InChI | 1S/C20H15N5OS/c1-26-20-24-17-14(10-11-21-17)18(25-20)22-13-8-6-12(7-9-13)19-23-15-4-2-3-5-16(15)27-1
9/h2-11H,1H3,(H2,21,22,24,25) |
InChIKey | OJBMEBMIUCBAAE-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002243.png) | Structure Backbone | ![](./frame/f_EGIN0002243.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 | 19211246 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Aurora A | Aurora B | InsR | VEGFR3 | VEGFR2 | IGF1R | SRC | TIE2 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23335822 |
ChEMBL Link | CHEMBL462338 |