General Property |
Molceule ID (DB) | EGIN0005166 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8x |
IUPAC Name | (S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(pyrrolidin-1-yl)piperidine-1-carboxamide |
Formula | C28H32ClFN6O3 |
Mass | 555.043 |
Exact Mass | 554.220844832 |
Composition | C (60.59%), H (5.81%), Cl (6.39%), F (3.42%), N (15.14%), O (8.65%) |
Atom Count | 71 |
PI | 10.68 |
Smiles | [H]N(C(=O)N1C([H])([H])C([H])([H])C([H])(N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])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/C28H32ClFN6O3/c29-22-13-18(3-4-23(22)30)33-27-21-14-25(26(15-24(21)31-17-32-27)39-20-7-12-38-16-2
0)34-28(37)36-10-5-19(6-11-36)35-8-1-2-9-35/h3-4,13-15,17,19-20H,1-2,5-12,16H2,(H,34,37)(H,31,32,33)
/t20-/m0/s1 |
InChIKey | LFEGDHBZJSJJHP-FQEVSTJZSA-N |
2D Structure | ![](./image/EGIN0005166.png) | Structure Backbone | ![](./frame/f_EGIN0005166.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 | - |