General Property |
Molceule ID (DB) | EGIN0004317 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 10 compound |
IUPAC Name | phenyl N-[({4-[(3-bromophenyl)amino]quinazolin-6-yl}carbamoyl)methyl]carbamate |
Formula | C23H18BrN5O3 |
Mass | 492.325 |
Exact Mass | 491.0593021 |
Composition | C (56.11%), H (3.69%), Br (16.23%), N (14.23%), O (9.75%) |
Atom Count | 50 |
PI | 8.58 |
Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)CNC(=O)Oc1ccccc1 |
InChI | 1S/C23H18BrN5O3/c24-15-5-4-6-16(11-15)29-22-19-12-17(9-10-20(19)26-14-27-22)28-21(30)13-25-23(31)32-
18-7-2-1-3-8-18/h1-12,14H,13H2,(H,25,31)(H,28,30)(H,26,27,29) |
InChIKey | GKIQXUYTWFNMTA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004317.png) | Structure Backbone | ![](./frame/f_EGIN0004317.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 | 24651542 |
ChEMBL Link | CHEMBL599863 |