General Property |
Molceule ID (DB) | EGIN0000372 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 1l compound |
IUPAC Name | 5-(2,5-dihydro-1H-pyrrol-1-yl)-8-nitroquinazolin-4-ol |
Formula | C12H10N4O3 |
Mass | 258.2328 |
Exact Mass | 258.0752902 |
Composition | C (55.81%), H (3.9%), N (21.7%), O (18.59%) |
Atom Count | 29 |
PI | 5.61 |
Smiles | c12c(c(ccc1N1CC=CC1)N(=O)=O)ncnc2O |
InChI | 1S/C12H10N4O3/c17-12-10-8(15-5-1-2-6-15)3-4-9(16(18)19)11(10)13-7-14-12/h1-4,7H,5-6H2,(H,13,14,17) |
InChIKey | RTEXHONXOARHDM-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 15993078 |
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 | - |