General Property |
Molceule ID (DB) | EGIN0005147 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8e |
IUPAC Name | (S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(2-(diethylamino)ethyl)urea |
Formula | C25H30ClFN6O3 |
Mass | 516.996 |
Exact Mass | 516.205194768 |
Composition | C (58.08%), H (5.85%), Cl (6.86%), F (3.67%), N(16.26%), O (9.28%) |
Atom Count | 66 |
PI | 10.41 |
Smiles | [H]N(C(=O)N([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([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/C25H30ClFN6O3/c1-3-33(4-2)9-8-28-25(34)32-22-12-18-21(13-23(22)36-17-7-10-35-14-17)29-15-30-24(18
)31-16-5-6-20(27)19(26)11-16/h5-6,11-13,15,17H,3-4,7-10,14H2,1-2H3,(H2,28,32,34)(H,29,30,31)/t17-/m0
/s1 |
InChIKey | GSDAGRRLPOIIOT-KRWDZBQOSA-N |
2D Structure | ![](./image/EGIN0005147.png) | Structure Backbone | ![](./frame/f_EGIN0005147.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 | - |