| General Property |
| Molceule ID (DB) | EGIN0003170 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | RO4396686 |
| IUPAC Name | 7-[(4-fluorophenyl)amino]-1-[(1S,3R)-3-hydroxycyclopentyl]-3-(4-methoxyphenyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one |
| Formula | C24H24FN5O3 |
| Mass | 449.4775 |
| Exact Mass | 449.1863179 |
| Composition | C (64.13%), H (5.38%), F (4.23%), N (15.58%), O (10.68%) |
| Atom Count | 57 |
| PI | 7.21 |
| Smiles | N1(C(=O)N(Cc2c1nc(nc2)Nc1ccc(F)cc1)c1ccc(cc1)OC)[C@@H]1C[C@@H](CC1)O |
| InChI | 1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)3
2)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19-,20+/m0/s1 |
| InChIKey | KXEMINRANVTICS-VQTJNVASSA-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 | 16460940 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT | CDK1/cyclinB | EGFR | EphB3 | ERK2 | FGFR | Fyn | KDR | PDGFR | PKA | PKC alpha | PKC delta | SGK | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 9571638 |
| ChEMBL Link | CHEMBL606964 |
