Bioactive Compound Details

BioIDbio50543
NameNone
ChEMBL IDCHEMBL555467
Molecular FormulaC44H43ClN2O7
Molecular Weight747.29
Molecular Weight (Monoisotopic)746.2759
TypeSmall molecule
Max Phase--
Target IDTar24
Target NameIBD9
SynonymsNone
SmilesCOc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Cl)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4
InchiInChI=1S/C44H43ClN2O7/c1-46-18-16-29-23-37(49-3)39-25-33(29)34(46)20-26-6-13-32(14-7-26)52-38-22-27(8-15-36(38)54-44(48)28-9-11-31(45)12-10-28)21-35-41-30(17-19-47(35)2)24-40(50-4)42(51-5)43(41)53-39/h6-15,22-25,34-35H,16-21H2,1-5H3/t34-,35+/m0/s1
Inchi KeyJUIKZWZBNNLTFR-OIDHKYIRSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities6.0
Np Likeness Score1.19
Records Key['3i', 'BBD9']
Records Name['O-(4-Chlorobenzoyl)-berbamine', '4-Chlorobenzoyl berbamine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure