General Property |
Molceule ID (DB) | EGIN0003128 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 3b compound |
IUPAC Name | (6R)-2-[(2-chloro-4-nitrophenyl)amino]-6-(2,4-dihydroxyphenyl)-4-methyl-N-(4-methylphenyl)-1,6-dihydropyrimidine-5-carboxamide |
Formula | C25H22ClN5O5 |
Mass | 507.926 |
Exact Mass | 507.1309465 |
Composition | C (59.12%), H (4.37%), Cl (6.98%), N (13.79%), O (15.75%) |
Atom Count | 58 |
PI | 7.32 |
Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1ccc(cc1)C)C)Nc1ccc(cc1Cl)[N+](=O)[O-])O |
InChI | 1S/C25H22ClN5O5/c1-13-3-5-15(6-4-13)28-24(34)22-14(2)27-25(29-20-10-7-16(31(35)36)11-19(20)26)30-23(
22)18-9-8-17(32)12-21(18)33/h3-12,23,32-33H,1-2H3,(H,28,34)(H2,27,29,30)/t23-/m1/s1 |
InChIKey | FZNFCLCTTNGMQK-HSZRJFAPSA-N |
2D Structure | ![](./image/EGIN0003128.png) | Structure Backbone | ![](./frame/f_EGIN0003128.png) |
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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 | CDK5 | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24675950 |
ChEMBL Link | CHEMBL1084117 |