General Property |
Molceule ID (DB) | EGIN0005156 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8n |
IUPAC Name | (S)-3-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-1-(2-(diethylamino)ethyl)-1-methylurea |
Formula | C26H32ClFN6O3 |
Mass | 531.022 |
Exact Mass | 530.220844832 |
Composition | C (58.81%), H (6.07%), Cl (6.68%), F (3.58%), N (15.83%), O (9.04%) |
Atom Count | 69 |
PI | 10.34 |
Smiles | [H]N(C(=O)N(C([H])([H])[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/C26H32ClFN6O3/c1-4-34(5-2)10-9-33(3)26(35)32-23-13-19-22(14-24(23)37-18-8-11-36-15-18)29-16-30-25
(19)31-17-6-7-21(28)20(27)12-17/h6-7,12-14,16,18H,4-5,8-11,15H2,1-3H3,(H,32,35)(H,29,30,31)/t18-/m0/
s1 |
InChIKey | JEBVEZSMXJHGOF-SFHVURJKSA-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 | 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 | - |