General Property |
Molceule ID (DB) | EGIN0001142 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | 1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31) |
Formula | C26H27Cl2N5O2 |
Mass | 512.431 |
Exact Mass | 511.1541805 |
Composition | C (60.94%), H (5.31%), Cl (13.84%), N (13.67%), O (6.24%) |
Atom Count | 62 |
PI | 11.55 |
Smiles | c12c(nc(nc1)Nc1ccc(cc1)OCCN(CC)CC)n(c(=O)c(c2)c1c(cccc1Cl)Cl)C |
InChI | 1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-2
6)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31) |
InChIKey | IFPPYSWJNWHOLQ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001142.png) | Structure Backbone | ![](./frame/f_EGIN0001142.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 | 9599227 | 9703473 | 15780636 | |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | FGFr | FGFr | PDGFr | ALL |
Pub Chem Link |
5311382
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Drug Bank Link | - |
ChemSpider Link | 4470875 |
ChEMBL Link | CHEMBL49120 |