General Property |
Molceule ID (DB) | EGIN0004583 |
Inhibitor Class | Purine |
Molecule Name in Refrence Article | 1d |
IUPAC Name | N-methyl-N-{4-[(6-{methyl[(3S)-1-(prop-2-enoyl)piperidin-3-yl]amino}-9H-purin-2-yl)amino]phenyl}propanamide |
Formula | C24H30N8O2 |
Mass | 462.5474 |
Exact Mass | 462.2491722 |
Composition | C (62.32%), H (6.54%), N (24.23%), O (6.92%) |
Atom Count | 64 |
PI | 7.87 |
Smiles | c1c(ccc(c1)Nc1nc(c2nc[nH]c2n1)N([C@H]1CCCN(C1)C(=O)C=C)C)N(C)C(=O)CC |
InChI | 1S/C24H30N8O2/c1-5-19(33)30(3)17-11-9-16(10-12-17)27-24-28-22-21(25-15-26-22)23(29-24)31(4)18-8-7-13
-32(14-18)20(34)6-2/h6,9-12,15,18H,2,5,7-8,13-14H2,1,3-4H3,(H2,25,26,27,28,29)/t18-/m0/s1 |
InChIKey | YECOQKGDBYGDTP-SFHVURJKSA-N |
2D Structure | ![](./image/EGIN0004583.png) | Structure Backbone | ![](./frame/f_EGIN0004583.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 | 21208802 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 26378638 |
ChEMBL Link | - |