Bioactive Compound Details

BioIDbio197424
NameNone
ChEMBL IDCHEMBL1951754
Molecular FormulaC30H36N4O8S2
Molecular Weight644.77
Molecular Weight (Monoisotopic)644.1975
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms1,8-Bis[2-(Methioine Methyl Ester)Acetamido]Anthraquinone
SmilesCOC(=O)[C@H](CCSC)NCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CN[C@@H](CCSC)C(=O)OC)cccc1C2=O
InchiInChI=1S/C30H36N4O8S2/c1-41-29(39)21(11-13-43-3)31-15-23(35)33-19-9-5-7-17-25(19)28(38)26-18(27(17)37)8-6-10-20(26)34-24(36)16-32-22(12-14-44-4)30(40)42-2/h5-10,21-22,31-32H,11-16H2,1-4H3,(H,33,35)(H,34,36)/t21-,22-/m0/s1
Inchi KeyKBEOYZVVUWIOQT-VXKWHMMOSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities6.0
Np Likeness Score-0.38
Records Key['3b']
Records Name['1,8-Bis[2-(methioine methyl ester)acetamido]anthraquinone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure