General Property |
Molceule ID (DB) | EGIN0001900 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 24 compound |
IUPAC Name | (2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[(3-methylphenyl)methoxy]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)quinazolin-6-yl]but-2-enamide |
Formula | C30H31N5O5 |
Mass | 541.5976 |
Exact Mass | 541.2325191 |
Composition | C (66.53%), H (5.77%), N (12.93%), O (14.77%) |
Atom Count | 71 |
PI | 9.37 |
Smiles | c1(c(cc2c(c1)c(ncn2)NC1=CC(=O)C(=CC1=O)OCc1cc(ccc1)C)OCC)NC(=O)/C=C/CN(C)C |
InChI | 1S/C30H31N5O5/c1-5-39-27-15-22-21(13-24(27)33-29(38)10-7-11-35(3)4)30(32-18-31-22)34-23-14-26(37)28(
16-25(23)36)40-17-20-9-6-8-19(2)12-20/h6-10,12-16,18H,5,11,17H2,1-4H3,(H,33,38)(H,31,32,34)/b10-7+ |
InChIKey | FWQHTPQAWDKGBW-JXMROGBWSA-N |
2D Structure | ![](./image/EGIN0001900.png) | Structure Backbone | ![](./frame/f_EGIN0001900.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 | 17416531 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | VEGFR2 | ALL |
Pub Chem Link |
44428899
|
Drug Bank Link | - |
ChemSpider Link | 23290751 |
ChEMBL Link | CHEMBL241919 |