Bioactive Compound Details

BioIDbio198462
NameNone
ChEMBL IDCHEMBL1951757
Molecular FormulaC32H40N4O8
Molecular Weight608.69
Molecular Weight (Monoisotopic)608.2846
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms1,8-Bis[2-(Leucine Methyl Ester)Acetamido]Anthraquinone
SmilesCOC(=O)[C@H](CC(C)C)NCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CN[C@@H](CC(C)C)C(=O)OC)cccc1C2=O
InchiInChI=1S/C32H40N4O8/c1-17(2)13-23(31(41)43-5)33-15-25(37)35-21-11-7-9-19-27(21)30(40)28-20(29(19)39)10-8-12-22(28)36-26(38)16-34-24(14-18(3)4)32(42)44-6/h7-12,17-18,23-24,33-34H,13-16H2,1-6H3,(H,35,37)(H,36,38)/t23-,24-/m0/s1
Inchi KeyXKXMQZPFPSTEDL-ZEQRLZLVSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities6.0
Np Likeness Score-0.21
Records Key['3e']
Records Name['1,8-Bis[2-(leucine methyl ester)acetamido]anthraquinone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure