General Property |
Molceule ID (DB) | EGIN0004646 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 10a |
IUPAC Name | 4-amino-2,7-bis[(2-hydroxyethyl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile |
Formula | C12H15N7O2 |
Mass | 289.2932 |
Exact Mass | 289.1287228 |
Composition | C (49.82%), H (5.23%), N (33.89%), O (11.06%) |
Atom Count | 36 |
PI | 9.09 |
Smiles | c1(nc(nc2c1cc(c(n2)NCCO)C#N)NCCO)N |
InChI | 1S/C12H15N7O2/c13-6-7-5-8-9(14)17-12(16-2-4-21)19-11(8)18-10(7)15-1-3-20/h5,20-21H,1-4H2,(H4,14,15,1
6,17,18,19) |
InChIKey | OHOHOXQKGIAPQS-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 | 22000924 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | CDK4/D | CDK2/A | ALL |
Pub Chem Link |
56935468
|
Drug Bank Link | - |
ChemSpider Link | 28486010 |
ChEMBL Link | CHEMBL1910274 |