General Property |
Molceule ID (DB) | EGIN0003136 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | (6R)-6-(2,4-dihydroxyphenyl)-2-hydrazinyl-4-methyl-N-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxamide |
Formula | C18H18N6O5 |
Mass | 398.3727 |
Exact Mass | 398.1338677 |
Composition | C (54.27%), H (4.55%), N (21.1%), O (20.08%) |
Atom Count | 47 |
PI | 8.38 |
Smiles | c1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1cccc(c1)[N+](=O)[O-])C)NN)O |
InChI | 1S/C18H18N6O5/c1-9-15(17(27)21-10-3-2-4-11(7-10)24(28)29)16(22-18(20-9)23-19)13-6-5-12(25)8-14(13)26
/h2-8,16,25-26H,19H2,1H3,(H,21,27)(H2,20,22,23)/t16-/m1/s1 |
InChIKey | OGASXTFKHUDJSL-MRXNPFEDSA-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 | CDK13 | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24662907 |
ChEMBL Link | CHEMBL1077095 |