| General Property |
| Molceule ID (DB) | EGIN0004159 |
| Inhibitor Class | Diazepine |
| Molecule Name in Refrence Article | 11b compound |
| IUPAC Name | N-methyl[(3-{12,14-dioxo-10,13,16-triazahexacyclo[14.6.1.0^{2,10}.0^{4,9}.0^{11,15}.0^{19,23}]tricosa-1(22),2,4,6,8,11(15),17,19(23),20-nonaen-13-yl}propyl)sulfanyl]methanimidamide |
| Formula | C25H21N5O2S |
| Mass | 455.532 |
| Exact Mass | 455.1415956 |
| Composition | C (65.92%), H (4.65%), N (15.37%), O (7.02%), S (7.04%) |
| Atom Count | 54 |
| PI | No isoelectric point. |
| Smiles | c1ccc2c(c1)n1c(c2)c2c3n(ccc3ccc2)c2c1c(=O)n(c2=O)CCCSC(=N)NC |
| InChI | 1S/C25H21N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-
15-10-12-28(21)20(15)17/h2-4,6-10,12,14H,5,11,13H2,1H3,(H2,26,27) |
| InChIKey | MTYBEFAXRMHIIW-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 19053831 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | EPHB4 | InsR | CDK4/CycD1 | CDK2/CycA | PDGFR Beta | MET | B-RAF | ARK5 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23333034 |
| ChEMBL Link | CHEMBL488271 |
