| General Property |
| Molceule ID (DB) | EGIN0004158 |
| Inhibitor Class | Diazepine |
| Molecule Name in Refrence Article | 11a compound |
| IUPAC Name | [(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 | C24H19N5O2S |
| Mass | 441.505 |
| Exact Mass | 441.1259456 |
| Composition | C (65.29%), H (4.34%), N (15.86%), O (7.25%), S (7.26%) |
| Atom Count | 51 |
| PI | No isoelectric point. |
| Smiles | c1ccc2c(c1)n1c(c2)c2c3n(ccc3ccc2)c2c1c(=O)n(c2=O)CCCSC(=N)N |
| InChI | 1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14
-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26) |
| InChIKey | RUTCIZOQGCWURK-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 | 19053831 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | B-RAF | EPHB4 | InsR | CDK4/CycD1 | MET | CDK2/CycA | SRC | IGF1R | VEGFR2 | PDGFR beta | AXL | FAK | VEGFR3 | AKT | PLK1 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23333032 |
| ChEMBL Link | CHEMBL489083 |
