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Name:methylisobenzofuran-1(3H)-one
PubChem ID:46839191
Pathway:Show KEGG pathways
InChI:InChI=1S/C28H33N9O7/c1-13(4-5-16-21(38)19-17(10-43-28(19)41)14(2)24(16)42-3)6-30-7-15-8-36(35-34-15)9-18-22(39)23(40)27(44-18)37-12-33-20-25(29)31-11-32-26(20)37/h4,8,11-12,18,22-23,27,30,38-40H,5-7,9-10H2,1-3H3,(H2,29,31,32)/b13-4+/t18-,22-,23-,27-/m1/s1
SMILES:COc1c(C/C=C(/CNCc2nnn(c2)C[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)\C)c(O)c2c(c1C)COC2=O

Properties:
Formula:C28H33N9O7Atoms:44
Molecular Weight:607.618Rotatable Bonds:10
H-bond Acceptors:16H-bond Donors:5
logP:1.2631
Targets:
Synonyms:
6-((E)-4-(((1-(5'-Deoxy-adenosin-5'-yl)-1H-1,2,3-triazol-4-yl)-
CHEBI:749511
CHEMBL1170849
methyl)amino)-3-methylbut-2-en-1-yl)-7-hydroxy-5-methoxy-4-
methylisobenzofuran-1(3H)-one