General Property |
Molceule ID (DB) | EGIN0001979 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | 12d compound |
IUPAC Name | 1-(2-{[4-({4-[(3-fluorophenyl)methoxy]-3-methylphenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)piperidin-4-ol |
Formula | C26H29FN6O3 |
Mass | 492.5453 |
Exact Mass | 492.228517 |
Composition | C (63.4%), H (5.93%), F (3.86%), N (17.06%), O (9.74%) |
Atom Count | 65 |
PI | 8.05 |
Smiles | n1cnc(c2c1[nH]nc2OCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)C)OCc1cccc(c1)F |
InChI | 1S/C26H29FN6O3/c1-17-13-20(5-6-22(17)36-15-18-3-2-4-19(27)14-18)30-24-23-25(29-16-28-24)31-32-26(23)
35-12-11-33-9-7-21(34)8-10-33/h2-6,13-14,16,21,34H,7-12,15H2,1H3,(H2,28,29,30,31,32) |
InChIKey | RVSMZHTVMMGSFY-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 |
11627337
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Drug Bank Link | - |
ChemSpider Link | 9802084 |
ChEMBL Link | CHEMBL438536 |