General Property |
Molceule ID (DB) | EGIN0004955 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 33b |
IUPAC Name | N-(3-chlorophenyl)-6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine |
Formula | C21H24ClN5O2 |
Mass | 413.901 |
Exact Mass | 413.1618527 |
Composition | C (60.94%), H (5.84%), Cl (8.57%), N (16.92%), O (7.73%) |
Atom Count | 53 |
PI | 11.78 |
Smiles | c12cc(c(cc1nc(nc2Nc1cc(ccc1)Cl)N1CCN(CC1)C)OC)OC |
InChI | 1S/C21H24ClN5O2/c1-26-7-9-27(10-8-26)21-24-17-13-19(29-3)18(28-2)12-16(17)20(25-21)23-15-6-4-5-14(22
)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,23,24,25) |
InChIKey | APICIERXNBVOHG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004955.png) | Structure Backbone | ![](./frame/f_EGIN0004955.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 | 8879541 |
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 |
5328831
|
Drug Bank Link | - |
ChemSpider Link | 4485993 |
ChEMBL Link | - |