General Property |
Molceule ID (DB) | EGIN0005149 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8g |
IUPAC Name | (S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(2-(piperidin-1-yl)ethyl)urea |
Formula | C26H30ClFN6O3 |
Mass | 529.006 |
Exact Mass | 528.205194768 |
Composition | C (59.03%), H (5.72%), Cl (6.7%), F (3.59%), N (15.89%), O (9.07%) |
Atom Count | 67 |
PI | 10.04 |
Smiles | [H]N(C(=O)N([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([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/C26H30ClFN6O3/c27-20-12-17(4-5-21(20)28)32-25-19-13-23(33-26(35)29-7-10-34-8-2-1-3-9-34)24(14-22(
19)30-16-31-25)37-18-6-11-36-15-18/h4-5,12-14,16,18H,1-3,6-11,15H2,(H2,29,33,35)(H,30,31,32)/t18-/m0
/s1 |
InChIKey | RLKFWXIKUUDQPW-SFHVURJKSA-N |
2D Structure | ![](./image/EGIN0005149.png) | Structure Backbone | ![](./frame/f_EGIN0005149.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 | - |