General Property |
Molceule ID (DB) | EGIN0003142 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 8b compound |
IUPAC Name | (6R)-6-(2,4-dihydroxyphenyl)-4-methyl-N-(3-nitrophenyl)-2-{[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]amino}-1,6-dihydropyrimidine-5-carboxamide |
Formula | C26H20N6O6S3 |
Mass | 608.669 |
Exact Mass | 608.0606445 |
Composition | C (51.31%), H (3.31%), N (13.81%), O (15.77%), S (15.8%) |
Atom Count | 61 |
PI | 7.11 |
Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1cccc(c1)[N+](=O)[O-])C)NN1C(=S)S/C(=C/c2sccc2)/C1=O)O |
InChI | 1S/C26H20N6O6S3/c1-13-21(23(35)28-14-4-2-5-15(10-14)32(37)38)22(18-8-7-16(33)11-19(18)34)29-25(27-13
)30-31-24(36)20(41-26(31)39)12-17-6-3-9-40-17/h2-12,22,33-34H,1H3,(H,28,35)(H2,27,29,30)/b20-12+/t22
-/m1/s1 |
InChIKey | IILFADDIUOHEAD-FNUHDPNESA-N |
2D Structure | ![](./image/EGIN0003142.png) | Structure Backbone | ![](./frame/f_EGIN0003142.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 | CDK19 | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24662592 |
ChEMBL Link | CHEMBL1077085 |