General Property |
Molceule ID (DB) | EGIN0004720 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 20 |
IUPAC Name | 2-({2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}amino)ethan-1-ol |
Formula | C23H21ClF3N5O2 |
Mass | 491.893 |
Exact Mass | 491.1335873 |
Composition | C (56.16%), H (4.3%), Cl (7.21%), F (11.59%), N (14.24%), O (6.51%) |
Atom Count | 55 |
PI | 12.5 |
Smiles | c1(c2n(ccc2ncn1)CCNCCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
InChI | 1S/C23H21ClF3N5O2/c24-18-13-16(4-5-20(18)34-17-3-1-2-15(12-17)23(25,26)27)31-22-21-19(29-14-30-22)6-
9-32(21)10-7-28-8-11-33/h1-6,9,12-14,28,33H,7-8,10-11H2,(H,29,30,31) |
InChIKey | ABLXXKUDDSMAHU-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004720.png) | Structure Backbone | ![](./frame/f_EGIN0004720.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 | 22003817 |
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 |
56850930
|
Drug Bank Link | - |
ChemSpider Link | 28423601 |
ChEMBL Link | CHEMBL1923013 |