General Property |
Molceule ID (DB) | EGIN0003125 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 2a compound |
IUPAC Name | (6R)-2-(benzylsulfanyl)-6-(2,4-dihydroxyphenyl)-4-methyl-N-(4-methylphenyl)-1,6-dihydropyrimidine-5-carboxamide |
Formula | C26H25N3O3S |
Mass | 459.56 |
Exact Mass | 459.1616624 |
Composition | C (67.95%), H (5.48%), N (9.14%), O (10.44%), S (6.98%) |
Atom Count | 58 |
PI | 7.22 |
Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1ccc(cc1)C)C)SCc1ccccc1)O |
InChI | 1S/C26H25N3O3S/c1-16-8-10-19(11-9-16)28-25(32)23-17(2)27-26(33-15-18-6-4-3-5-7-18)29-24(23)21-13-12-
20(30)14-22(21)31/h3-14,24,30-31H,15H2,1-2H3,(H,27,29)(H,28,32)/t24-/m1/s1 |
InChIKey | HGHKZQFWOAHCDL-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 | CDK2 | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24665686 |
ChEMBL Link | CHEMBL1087054 |