General Property |
Molceule ID (DB) | EGIN0005165 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8w |
IUPAC Name | (S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide |
Formula | C26H27ClFN5O5 |
Mass | 543.974 |
Exact Mass | 543.168474911 |
Composition | C (57.41%), H (5%), Cl (6.52%), F (3.49%), N (12.87%), O (14.71%) |
Atom Count | 65 |
PI | 8.01 |
Smiles | [H]N(C(=O)N1C([H])([H])C([H])([H])C2(OC([H])([H])C([H])([H])O2)C([H])([H])C1([H])[H])C1=C([H])C2=C(N=C([H])N=C2C([H])=C1O[C@]1([H])C([H])([H])OC([H])([H])C1([H])[H])N([H])C1=C([H])C(Cl)=C(F)C([H])=C1[H] |
InChI | 1S/C26H27ClFN5O5/c27-19-11-16(1-2-20(19)28)31-24-18-12-22(23(13-21(18)29-15-30-24)38-17-3-8-35-14-17
)32-25(34)33-6-4-26(5-7-33)36-9-10-37-26/h1-2,11-13,15,17H,3-10,14H2,(H,32,34)(H,29,30,31)/t17-/m0/s
1 |
InChIKey | YXSUNYVQHKBPDQ-KRWDZBQOSA-N |
2D Structure | ![](./image/EGIN0005165.png) | Structure Backbone | ![](./frame/f_EGIN0005165.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 | 24183742 |
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 | - |