General Property |
Molceule ID (DB) | EGIN0005162 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8t |
IUPAC Name | (S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-fluoropiperidine-1-carboxamide |
Formula | C24H24ClF2N5O3 |
Mass | 503.929 |
Exact Mass | 503.153573776 |
Composition | C (57.2%), H (4.8%), Cl (7.04%), F (7.54%), N (13.9%), O (9.52%) |
Atom Count | 59 |
PI | 8.01 |
Smiles | [H]N(C(=O)N1C([H])([H])C([H])([H])C([H])(F)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/C24H24ClF2N5O3/c25-18-9-15(1-2-19(18)27)30-23-17-10-21(31-24(33)32-6-3-14(26)4-7-32)22(11-20(17)2
8-13-29-23)35-16-5-8-34-12-16/h1-2,9-11,13-14,16H,3-8,12H2,(H,31,33)(H,28,29,30)/t16-/m0/s1 |
InChIKey | ISQFLEUXHWNACR-INIZCTEOSA-N |
2D Structure | ![](./image/EGIN0005162.png) | Structure Backbone | ![](./frame/f_EGIN0005162.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 | - |