General Property |
Molceule ID (DB) | EGIN0003127 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 3a compound |
IUPAC Name | (6R)-2-(benzylamino)-6-(2,4-dihydroxyphenyl)-4-methyl-N-(4-methylphenyl)-1,6-dihydropyrimidine-5-carboxamide |
Formula | C26H26N4O3 |
Mass | 442.5096 |
Exact Mass | 442.2004907 |
Composition | C (70.57%), H (5.92%), N (12.66%), O (10.85%) |
Atom Count | 59 |
PI | 8.97 |
Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1ccc(cc1)C)C)NCc1ccccc1)O |
InChI | 1S/C26H26N4O3/c1-16-8-10-19(11-9-16)29-25(33)23-17(2)28-26(27-15-18-6-4-3-5-7-18)30-24(23)21-13-12-2
0(31)14-22(21)32/h3-14,24,31-32H,15H2,1-2H3,(H,29,33)(H2,27,28,30)/t24-/m1/s1 |
InChIKey | MTMATWPRRFOMBX-XMMPIXPASA-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 | 20045222 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | CDK4 | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24667870 |
ChEMBL Link | CHEMBL1088348 |