General Property |
Molceule ID (DB) | EGIN0002251 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | 20 compound |
IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)phenyl]-7-chloroquinolin-4-amine |
Formula | C22H14ClN3S |
Mass | 387.885 |
Exact Mass | 387.0596959 |
Composition | C (68.12%), H (3.64%), Cl (9.14%), N (10.83%), S (8.27%) |
Atom Count | 41 |
PI | 12.4 |
Smiles | c1c(ccc(c1)c1nc2c(s1)cccc2)Nc1ccnc2c1ccc(c2)Cl |
InChI | 1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-
22/h1-13H,(H,24,25) |
InChIKey | IFTCXKUSJMWVRD-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002251.png) | Structure Backbone | ![](./frame/f_EGIN0002251.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 | EphB4 | InsR | Aurora A | Src | VEGFR2 | TIE2 | Aurora B | IGF1R | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23335929 |
ChEMBL Link | CHEMBL474543 |