General Property |
Molceule ID (DB) | EGIN0005199 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | 3v |
IUPAC Name | Nâ€[3â€(2â€{[4â€(carbamoylmethyl)phenyl]amino}â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl)phenyl]propâ€2â€enamide |
Formula | C23H19N7O3 |
Mass | 441.4421 |
Exact Mass | 441.154937509 |
Composition | C (62.58%), H (4.34%), N (22.21%), O (10.87%) |
Atom Count | 52 |
PI | 6.65 |
Smiles | [H]N([H])C(=O)C([H])([H])C1=C([H])C([H])=C(N([H])C2=NC3=C(N=C([H])C(=O)N3C3=C([H])C(N([H])C(=O)C([H])=C([H])[H])=C([H])C([H])=C3[H])C([H])=N2)C([H])=C1[H] |
InChI | 1S/C23H19N7O3/c1-2-20(32)27-16-4-3-5-17(11-16)30-21(33)13-25-18-12-26-23(29-22(18)30)28-15-8-6-14(7-
9-15)10-19(24)31/h2-9,11-13H,1,10H2,(H2,24,31)(H,27,32)(H,26,28,29) |
InChIKey | RXJKLEMMSUOSDJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005199.png) | Structure Backbone | ![](./frame/f_EGIN0005199.png) |
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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 | 24053674 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |