General Property |
Molceule ID (DB) | EGIN0003659 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 5d compound |
IUPAC Name | 2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}amino)ethan-1-ol |
Formula | C15H14BrN5O |
Mass | 360.209 |
Exact Mass | 359.0381727 |
Composition | C (50.02%), H (3.92%), Br (22.18%), N (19.44%), O (4.44%) |
Atom Count | 36 |
PI | 9.98 |
Smiles | c1(c2c(ncn1)cnc(c2)NCCO)Nc1cc(Br)ccc1 |
InChI | 1S/C15H14BrN5O/c16-10-2-1-3-11(6-10)21-15-12-7-14(17-4-5-22)18-8-13(12)19-9-20-15/h1-3,6-9,22H,4-5H2
,(H,17,18)(H,19,20,21) |
InChIKey | BSMQFXOOMVGQQY-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 | 9513602 |
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 | 4485515 |
ChEMBL Link | CHEMBL165864 |