General Property |
Molceule ID (DB) | EGIN0000010 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 63 compound |
IUPAC Name | N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine |
Formula | C16H14BrN3O2 |
Mass | 360.205 |
Exact Mass | 359.0269394 |
Composition | C (53.35%), H (3.92%), Br (22.18%), N (11.67%), O (8.88%) |
Atom Count | 36 |
PI | 10.32 |
Smiles | c1(cc2c(cc1OC)ncnc2Nc1cccc(c1)Br)OC |
InChI | 1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18
,19,20) |
InChIKey | LSPANGZZENHZNJ-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 | 8568816 | 8879541 | 7658435 | 8568816 | 8632415 | 8691423 | 9154973 | 9357527 | 9815602 | 10639288 | 10966743 | 16211656 | 16279804 | 16279804 | 17154492 | 17184594 | 17416531 | 18467105 | 18588282 | 19748785 | 20092323 | 20403693 | 20403700 | 21881256 | 22901387 | |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | v-Abl | c-Src | PKC-R | CDK1 | VEGFR-2 | VEGFR-2 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 4543 |
ChEMBL Link | CHEMBL29197 |