General Property |
Molceule ID (DB) | EGIN0001978 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | 12c compound |
IUPAC Name | 1-(2-{[4-({3-chloro-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)piperidin-4-ol |
Formula | C24H26ClN7O3 |
Mass | 495.961 |
Exact Mass | 495.1785654 |
Composition | C (58.12%), H (5.28%), Cl (7.15%), N (19.77%), O (9.68%) |
Atom Count | 61 |
PI | 8.05 |
Smiles | n1cnc(c2c1[nH]nc2OCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)Cl)Oc1ccc(nc1)C |
InChI | 1S/C24H26ClN7O3/c1-15-2-4-18(13-26-15)35-20-5-3-16(12-19(20)25)29-22-21-23(28-14-27-22)30-31-24(21)3
4-11-10-32-8-6-17(33)7-9-32/h2-5,12-14,17,33H,6-11H2,1H3,(H2,27,28,29,30,31) |
InChIKey | UWUFUUGZSOQBCY-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 | 18182285 |
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 |
11684684
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Drug Bank Link | - |
ChemSpider Link | 9859412 |
ChEMBL Link | CHEMBL255170 |