| General Property |
| Molceule ID (DB) | EGIN0001931 |
| Inhibitor Class | Quinoline |
| Molecule Name in Refrence Article | 34 compound |
| IUPAC Name | 6-[4-(morpholin-4-ylmethyl)phenyl]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile |
| Formula | C30H28N4O |
| Mass | 460.5695 |
| Exact Mass | 460.2263115 |
| Composition | C (78.23%), H (6.13%), N (12.16%), O (3.47%) |
| Atom Count | 63 |
| PI | No isoelectric point. |
| Smiles | c1(ccc2c(c1)c(c(cn2)C#N)N[C@@H]1C[C@H]1c1ccccc1)c1ccc(cc1)CN1CCOCC1 |
| InChI | 1S/C30H28N4O/c31-18-25-19-32-28-11-10-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)16-27(28)30(25)33-
29-17-26(29)23-4-2-1-3-5-23/h1-11,16,19,26,29H,12-15,17,20H2,(H,32,33)/t26-,29+/m0/s1 |
| InChIKey | IJICIGXZTZGSSZ-LITSAYRRSA-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 | 17827009 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | ABL | SYK | Flt-1 | KDR | SRC | ALL |
| Pub Chem Link |
44442744
|
| Drug Bank Link | - |
| ChemSpider Link | 23307342 |
| ChEMBL Link | CHEMBL247024 |
