General Property |
Molceule ID (DB) | EGIN0000222 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 18 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-(3-{[(1R)-3-hydroxy-1-methyl-4-[(morpholin-4-yl)amino]-2-oxocyclopent-3-en-1-yl]oxy}propoxy)quinazolin-6-yl}prop-2-enamide |
Formula | C30H32ClFN6O6 |
Mass | 627.063 |
Exact Mass | 626.2055887 |
Composition | C (57.46%), H (5.14%), Cl (5.65%), F (3.03%), N (13.4%), O (15.31%) |
Atom Count | 76 |
PI | 6.76 |
Smiles | O=C(Nc1cc2c(cc1OCCCO[C@]1(C)CC(=C(C1=O)O)NN1CCOCC1)ncnc2Nc1ccc(c(c1)Cl)F)C=C |
InChI | 1S/C30H32ClFN6O6/c1-3-26(39)36-23-14-19-22(33-17-34-29(19)35-18-5-6-21(32)20(31)13-18)15-25(23)43-9-
4-10-44-30(2)16-24(27(40)28(30)41)37-38-7-11-42-12-8-38/h3,5-6,13-15,17,37,40H,1,4,7-12,16H2,2H3,(H,
36,39)(H,33,34,35)/t30-/m1/s1 |
InChIKey | LZTKORXAAZSGDH-SSEXGKCCSA-N |
2D Structure | ![](./image/EGIN0000222.png) | Structure Backbone | ![](./frame/f_EGIN0000222.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 | 10753475 |
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 | CHEMBL31965 |