General Property |
Molceule ID (DB) | EGIN0004190 |
Inhibitor Class | Triazine |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | 2-(piperidin-4-yl)ethyl N-[(7aR)-4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-7aH-pyrrolo[2,3-d]pyrimidin-6-yl]carbamate |
Formula | C30H34N8O2 |
Mass | 538.6434 |
Exact Mass | 538.2804724 |
Composition | C (66.89%), H (6.36%), N (20.8%), O (5.94%) |
Atom Count | 74 |
PI | 10.2 |
Smiles | N1CCC(CCOC(=O)NC2=N[C@H]3N=CN=C(C3=C2CC)Nc2cc3c(cc2)n(nc3)Cc2ccccc2)CC1 |
InChI | 1S/C30H34N8O2/c1-2-24-26-28(35-23-8-9-25-22(16-23)17-34-38(25)18-21-6-4-3-5-7-21)32-19-33-29(26)36-2
7(24)37-30(39)40-15-12-20-10-13-31-14-11-20/h3-9,16-17,19-20,29,31H,2,10-15,18H2,1H3,(H,32,33,35)(H,
36,37,39)/t29-/m1/s1 |
InChIKey | JLLZADRFOWOBPP-GDLZYMKVSA-N |
2D Structure | ![](./image/EGIN0004190.png) | Structure Backbone | ![](./frame/f_EGIN0004190.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 | 19821562 |
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 | 24638639 |
ChEMBL Link | CHEMBL578044 |