General Property |
Molceule ID (DB) | EGIN0003975 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | KN1022 |
IUPAC Name | 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide |
Formula | C21H22N6O5 |
Mass | 438.4366 |
Exact Mass | 438.1651678 |
Composition | C (57.53%), H (5.06%), N (19.17%), O (18.25%) |
Atom Count | 54 |
PI | 8.96 |
Smiles | c12c(N3CCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)ncnc1cc(c(c2)OC)OC |
InChI | 1S/C21H22N6O5/c1-31-18-11-16-17(12-19(18)32-2)22-13-23-20(16)25-7-9-26(10-8-25)21(28)24-14-3-5-15(6-
4-14)27(29)30/h3-6,11-13H,7-10H2,1-2H3,(H,24,28) |
InChIKey | ZIFCMJKHIXABHJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003975.png) | Structure Backbone | ![](./frame/f_EGIN0003975.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 | 12086491 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | FGFR | CSF1R | ERK2 | Jnk1 | Mek1 | Mkk3 | Mkk6 | p38 | PKA | PKC | Src | beta PDGFR | Flt3 | c-Kit | alpah-PDGFR | ALL |
Pub Chem Link |
9911005
|
Drug Bank Link | - |
ChemSpider Link | 8086656 |
ChEMBL Link | CHEMBL99743 |