Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003140
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article7b compound
IUPAC Name(6R)-6-(2,4-dihydroxyphenyl)-4-methyl-2-[(4E)-3-methyl-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrazol-1-yl]-N-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxamide
FormulaC27H22N6O6S
Mass558.565
Exact Mass558.1321532
Composition C (58.06%), H (3.97%), N (15.05%), O (17.19%), S (5.74%)
Atom Count62
PI4.71
SmilesN1(C(=O)/C(=C/c2sccc2)/C(=N1)C)C1=NC(=C([C@@H](c2c(cc(cc2)O)O)N1)C(=O)Nc1cccc(c1)[N+](=O)[O-])C
InChI1S/C27H22N6O6S/c1-14-21(13-19-7-4-10-40-19)26(37)32(31-14)27-28-15(2)23(24(30-27)20-9-8-18(34)12-22(
20)35)25(36)29-16-5-3-6-17(11-16)33(38)39/h3-13,24,34-35H,1-2H3,(H,28,30)(H,29,36)/b21-13+/t24-/m1/s
1
InChIKeyCTYXIXSMACYNBZ-QYAMMSNYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference20045222
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesCDK17 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24663676
ChEMBL Link CHEMBL1087566
 
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