General Property |
Molceule ID (DB) | EGIN0004184 |
Inhibitor Class | Triazine |
Molecule Name in Refrence Article | 1 compound |
IUPAC Name | 2-(1H-imidazol-1-yl)ethyl N-[(7aR)-4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-7aH-pyrrolo[2,3-d]pyrimidin-6-yl]carbamate |
Formula | C28H27N9O2 |
Mass | 521.5731 |
Exact Mass | 521.2287712 |
Composition | C (64.48%), H (5.22%), N (24.17%), O (6.14%) |
Atom Count | 66 |
PI | 8.42 |
Smiles | N1=CN=C(C2=C(C(=N[C@@H]12)NC(=O)OCCn1ccnc1)CC)Nc1cc2c(cc1)n(nc2)Cc1ccccc1 |
InChI | 1S/C28H27N9O2/c1-2-22-24-26(30-17-31-27(24)34-25(22)35-28(38)39-13-12-36-11-10-29-18-36)33-21-8-9-23
-20(14-21)15-32-37(23)16-19-6-4-3-5-7-19/h3-11,14-15,17-18,27H,2,12-13,16H2,1H3,(H,30,31,33)(H,34,35
,38)/t27-/m1/s1 |
InChIKey | RWAFVRRIJKQZIU-HHHXNRCGSA-N |
2D Structure | ![](./image/EGIN0004184.png) | Structure Backbone | ![](./frame/f_EGIN0004184.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 | 24631078 |
ChEMBL Link | CHEMBL566337 |