General Property |
Molceule ID (DB) | EGIN0002264 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | 33 compound |
IUPAC Name | N-[3-(1,3-benzothiazol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
Formula | C19H13N5S |
Mass | 343.405 |
Exact Mass | 343.0891661 |
Composition | C (66.45%), H (3.82%), N (20.39%), S (9.34%) |
Atom Count | 38 |
PI | 9.97 |
Smiles | N(c1cc(ccc1)c1nc2c(s1)cccc2)c1ncnc2c1cc[nH]2 |
InChI | 1S/C19H13N5S/c1-2-7-16-15(6-1)24-19(25-16)12-4-3-5-13(10-12)23-18-14-8-9-20-17(14)21-11-22-18/h1-11H
,(H2,20,21,22,23) |
InChIKey | BMGGDZTXJBWQCN-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 | 19211246 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Aurora A | EphB4 | IGF1R | InsR | PDGFR beta | Src | VEGFR2 | VEGFR3 | TIE2 | Aurora B | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23336086 |
ChEMBL Link | CHEMBL490555 |