General Property |
Molceule ID (DB) | EGIN0001952 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 2l compound |
IUPAC Name | [(2R)-1-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)-2-methylbut-3-yn-2-yl]diethylamine |
Formula | C25H35N3O2 |
Mass | 409.5643 |
Exact Mass | 409.2729274 |
Composition | C (73.31%), H (8.61%), N (10.26%), O (7.81%) |
Atom Count | 65 |
PI | No isoelectric point. |
Smiles | c1(c(cc2c(c1)c(ncn2)C#C[C@](C)(N(CC)CC)CC1CCCCC1)OC)OC |
InChI | 1S/C25H35N3O2/c1-6-28(7-2)25(3,17-19-11-9-8-10-12-19)14-13-21-20-15-23(29-4)24(30-5)16-22(20)27-18-2
6-21/h15-16,18-19H,6-12,17H2,1-5H3/t25-/m0/s1 |
InChIKey | YVFYLFQVQFEOSK-VWLOTQADSA-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 | 17869510 |
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 | 23306765 |
ChEMBL Link | CHEMBL250727 |