General Property |
Molceule ID (DB) | EGIN0001998 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 1 compound |
IUPAC Name | 1-(2,6-dichlorophenyl)-3-[6-({4-[2-(diethylamino)ethoxy]phenyl}amino)pyrimidin-4-yl]urea |
Formula | C23H26Cl2N6O2 |
Mass | 489.398 |
Exact Mass | 488.1494295 |
Composition | C (56.45%), H (5.35%), Cl (14.49%), N (17.17%), O (6.54%) |
Atom Count | 59 |
PI | 9.73 |
Smiles | n1c(cc(nc1)NC(=O)Nc1c(cccc1Cl)Cl)Nc1ccc(cc1)OCCN(CC)CC |
InChI | 1S/C23H26Cl2N6O2/c1-3-31(4-2)12-13-33-17-10-8-16(9-11-17)28-20-14-21(27-15-26-20)29-23(32)30-22-18(2
4)6-5-7-19(22)25/h5-11,14-15H,3-4,12-13H2,1-2H3,(H3,26,27,28,29,30,32) |
InChIKey | FOMAIMPXVLHOCI-UHFFFAOYSA-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 | 18248988 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Axl | CDK2 | c-Met | FLT3 | IGF1R | JAK2 | PKA | PKB | PDGFR beta | BRAF | c-Abl | TIE2 | P38 | EphB4 | FGFR1 | c-Src | c-Kit | KDR | ALL |
Pub Chem Link |
24882503
|
Drug Bank Link | - |
ChemSpider Link | 23312432 |
ChEMBL Link | CHEMBL253292 |