Bioactive Compound Details

BioIDbio198698
Name4-O-DEMETHYLEPIPODOPHYLLOTOXINYL-2'-CHLORONICOTINATE
ChEMBL IDCHEMBL2262714
Molecular FormulaC27H22ClNO9
Molecular Weight539.92
Molecular Weight (Monoisotopic)539.0983
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCOc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)c3cccnc3Cl)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
InchiInChI=1S/C27H22ClNO9/c1-33-19-6-12(7-20(34-2)23(19)30)21-14-8-17-18(37-11-36-17)9-15(14)24(16-10-35-27(32)22(16)21)38-26(31)13-4-3-5-29-25(13)28/h3-9,16,21-22,24,30H,10-11H2,1-2H3/t16-,21+,22-,24+/m0/s1
Inchi KeyJQZBHNFVHDFZLG-JNTAVDMJSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities10.0
Np Likeness Score0.93
Records Key['8d']
Records Name[4-O-Demethylepipodophyllotoxinyl-2''-chloronicotinate"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure