General Property |
Molceule ID (DB) | EGIN0004786 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 12 |
IUPAC Name | 2-amino-2-[2-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)ethyl]propane-1,3-diol |
Formula | C20H22ClFN4O4 |
Mass | 436.864 |
Exact Mass | 436.1313611 |
Composition | C (54.99%), H (5.08%), Cl (8.12%), F (4.35%), N (12.82%), O (14.65%) |
Atom Count | 52 |
PI | 11.79 |
Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCC(CO)(N)CO |
InChI | 1S/C20H22ClFN4O4/c1-29-17-8-16-13(7-18(17)30-5-4-20(23,9-27)10-28)19(25-11-24-16)26-12-2-3-15(22)14(
21)6-12/h2-3,6-8,11,27-28H,4-5,9-10,23H2,1H3,(H,24,25,26) |
InChIKey | RBFZCADNFNXQRS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004786.png) | Structure Backbone | ![](./frame/f_EGIN0004786.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 | 11459659 |
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 | - |