General Property |
Molceule ID (DB) | EGIN0005143 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8a |
IUPAC Name | (S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(2-hydroxyethyl)urea |
Formula | C21H21ClFN5O4 |
Mass | 461.874 |
Exact Mass | 461.126610097 |
Composition | C (54.61%), H (4.58%), Cl (7.68%), F (4.11%), N (15.16%), O (13.86%) |
Atom Count | 53 |
PI | 8.06 |
Smiles | [H]OC([H])([H])C([H])([H])N([H])C(=O)N([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/C21H21ClFN5O4/c22-15-7-12(1-2-16(15)23)27-20-14-8-18(28-21(30)24-4-5-29)19(9-17(14)25-11-26-20)32
-13-3-6-31-10-13/h1-2,7-9,11,13,29H,3-6,10H2,(H2,24,28,30)(H,25,26,27)/t13-/m0/s1 |
InChIKey | OUKKRCKTDNRYKU-ZDUSSCGKSA-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 | - |