General Property |
Molceule ID (DB) | EGIN0000640 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | GW5945 |
IUPAC Name | 2-carboximidoyl-1-N-[(3-fluorophenyl)methyl]-4-N-(6-{4-[(2-methanesulfonylethyl)amino]butoxy}quinazolin-4-yl)benzene-1,4-diamine |
Formula | C29H33FN6O3S |
Mass | 564.674 |
Exact Mass | 564.2318878 |
Composition | C (61.68%), H (5.89%), F (3.36%), N (14.88%), O (8.5%), S (5.68%) |
Atom Count | 73 |
PI | 13.18 |
Smiles | c12c(ccc(c1)OCCCCNCCS(=O)(=O)C)ncnc2Nc1ccc(c(c1)C=N)NCc1cccc(c1)F |
InChI | 1S/C29H33FN6O3S/c1-40(37,38)14-12-32-11-2-3-13-39-25-8-10-28-26(17-25)29(35-20-34-28)36-24-7-9-27(22
(16-24)18-31)33-19-21-5-4-6-23(30)15-21/h4-10,15-18,20,31-33H,2-3,11-14,19H2,1H3,(H,34,35,36)/b31-18
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InChIKey | OXBHPHLVWXTIQC-FDAWAROLSA-N |
2D Structure | ![](./image/EGIN0000640.png) | Structure Backbone | ![](./frame/f_EGIN0000640.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 | 11585755 |
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 | - |