General Property |
Molceule ID (DB) | EGIN0000925 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 36 compound |
IUPAC Name | N-(3-bromophenyl)-6-[(R)-ethenesulfinyl]pyrido[3,4-d]pyrimidin-4-amine |
Formula | C15H11BrN4OS |
Mass | 375.243 |
Exact Mass | 373.9836943 |
Composition | C (48.01%), H (2.95%), Br (21.29%), N (14.93%), O (4.26%), S (8.55%) |
Atom Count | 33 |
PI | 9.76 |
Smiles | [S@@](=O)(C=C)c1cc2c(ncnc2cn1)Nc1cccc(c1)Br |
InChI | 1S/C15H11BrN4OS/c1-2-22(21)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h2-9H,1H2,(H,18,1
9,20)/t22-/m1/s1 |
InChIKey | UIYHGNBEHXNFBN-JOCHJYFZSA-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 | 11462982 |
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 | 4486259 |
ChEMBL Link | CHEMBL345077 |