Bioactive Compound Details

BioIDbio200582
NameIODIXANOL
ChEMBL IDCHEMBL1200507
Molecular FormulaC35H44I6N6O15
Molecular Weight1550.19
Molecular Weight (Monoisotopic)1549.7133
TypeUnknown
Max PhasePhase 4
Target IDTar81
Target NameNone
Synonyms2-5410-3A|2-541O-3A|IODIXANOL|NSC-760069|VISIPAQUE 270|VISIPAQUE 320
SmilesCC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
InchiInChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)
Inchi KeyNBQNWMBBSKPBAY-UHFFFAOYSA-N
Molecular SpeciesNone
Targets5.0
Bioactivities54.0
Np Likeness ScoreNone
Records Key['iodixanol', 'SID170464924', 'SID144204262', 'IODIXANOL', 'Iodixanol', 'Iodixanol', 'IODIXANOL', 'IODIXANOL', 'IODIXANOL', 'COVC-0136618982', 'Iodixanol', 'BA1000823']
Records Name['iodixanol', 'SID170464924', 'SID144204262', 'IODIXANOL', 'Iodixanol', 'Iodixanol', 'IODIXANOL', 'IODIXANOL', 'IODIXANOL', 'IODIXANOL', 'Iodixanol', 'IODIXANOL']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure