General Property |
Molceule ID (DB) | EGIN0003044 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | AZD-0530 |
IUPAC Name | N-(5-chloro-2H-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine |
Formula | C27H32ClN5O5 |
Mass | 542.026 |
Exact Mass | 541.2091969 |
Composition | C (59.83%), H (5.95%), Cl (6.54%), N (12.92%), O (14.76%) |
Atom Count | 70 |
PI | 9.94 |
Smiles | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 |
InChI | 1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-
21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31) |
InChIKey | OUKYUETWWIPKQR-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 17064066 | 19321350 | |
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 |
10302451
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Drug Bank Link | - |
ChemSpider Link | 8477917 |
ChEMBL Link | CHEMBL217092 |