General Property |
Molceule ID (DB) | EGIN0004988 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 3 |
IUPAC Name | 6,7â€dimethoxyâ€Nâ€(thiophenâ€2â€ylmethyl)quinazolinâ€4â€amine |
Formula | C15H15N3O2S |
Mass | 301.364 |
Exact Mass | 301.088497429 |
Composition | C (59.78%), H (5.02%), N (13.94%), O (10.62%), S (10.64%) |
Atom Count | 36 |
PI | 11.98 |
Smiles | [H]N(C1=C2C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C2=NC([H])=N1)C([H])([H])C1=C([H])C([H])=C([H])S1 |
InChI | 1S/C15H15N3O2S/c1-19-13-6-11-12(7-14(13)20-2)17-9-18-15(11)16-8-10-4-3-5-21-10/h3-7,9H,8H2,1-2H3,(H,
16,17,18) |
InChIKey | SZXQNJNKRNPSJD-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004988.png) | Structure Backbone | ![](./frame/f_EGIN0004988.png) |
|
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 | 22607878 |
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 |
1490263
|
Drug Bank Link | - |
ChemSpider Link | 1230588 |
ChEMBL Link | CHEMBL1607403 |