General Property |
Molceule ID (DB) | EGIN0004319 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-(3-oxo-2,3-dihydro-1,2-thiazol-2-yl)acetamide |
Formula | C19H14BrN5O2S |
Mass | 456.316 |
Exact Mass | 455.0051581 |
Composition | C (50.01%), H (3.09%), Br (17.51%), N (15.35%), O (7.01%), S (7.03%) |
Atom Count | 42 |
PI | 7.97 |
Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)Cn1c(=O)ccs1 |
InChI | 1S/C19H14BrN5O2S/c20-12-2-1-3-13(8-12)24-19-15-9-14(4-5-16(15)21-11-22-19)23-17(26)10-25-18(27)6-7-2
8-25/h1-9,11H,10H2,(H,23,26)(H,21,22,24) |
InChIKey | XEJKUBDGAQQSNP-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004319.png) | Structure Backbone | ![](./frame/f_EGIN0004319.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 | 20151670 |
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 | 24652451 |
ChEMBL Link | CHEMBL603266 |