| General Property |
| Molceule ID (DB) | EGIN0003501 |
| Inhibitor Class | Biaryl |
| Molecule Name in Refrence Article | 14d compound |
| IUPAC Name | N-[3-(isoquinolin-7-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
| Formula | C29H30N4O |
| Mass | 450.5747 |
| Exact Mass | 450.2419616 |
| Composition | C (77.3%), H (6.71%), N (12.43%), O (3.55%) |
| Atom Count | 64 |
| PI | 10.03 |
| Smiles | c1c(cc2c(c1)ccnc2)c1cc(ccc1C)NC(=O)c1ccc(cc1)CN1CCN(CC1)C |
| InChI | 1S/C29H30N4O/c1-21-3-10-27(18-28(21)25-9-8-23-11-12-30-19-26(23)17-25)31-29(34)24-6-4-22(5-7-24)20-3
3-15-13-32(2)14-16-33/h3-12,17-19H,13-16,20H2,1-2H3,(H,31,34) |
| InChIKey | IYCITBYBDPSBBJ-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 | 18789685 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | JNK3 | CDK2 | PLK1 | SGK1 | cFMS | LCK | VEGFR2 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24719430 |
| ChEMBL Link | CHEMBL521887 |
