General Property |
Molceule ID (DB) | EGIN0003691 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 10n compound |
IUPAC Name | 4-N-(3-bromophenyl)-2-methyl-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine |
Formula | C20H23BrN6O |
Mass | 443.34 |
Exact Mass | 442.111672 |
Composition | C (54.18%), H (5.23%), Br (18.02%), N (18.96%), O (3.61%) |
Atom Count | 51 |
PI | 10.9 |
Smiles | c1(c2c(nc(n1)C)cnc(c2)NCCN1CCOCC1)Nc1cc(Br)ccc1 |
InChI | 1S/C20H23BrN6O/c1-14-24-18-13-23-19(22-5-6-27-7-9-28-10-8-27)12-17(18)20(25-14)26-16-4-2-3-15(21)11-
16/h2-4,11-13H,5-10H2,1H3,(H,22,23)(H,24,25,26) |
InChIKey | YKLBZCPQLOXMBM-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 | 4485546 |
ChEMBL Link | CHEMBL165228 |