MOXIDECTIN

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC P02CX03
UNII NGU5H31YO9

Structure

InChI Key YZBLFMPOMVTDJY-LSGXYNIPSA-N
Smiles CO/N=C1\C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C
InChI
InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H53NO8
Molecular Weight 639.83
AlogP 5.73
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 116.04
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 46.0

Cross References

Resources Reference
ChEMBL CHEMBL2104415
DrugBank DB11431
DrugCentral 5286
FDA SRS NGU5H31YO9
PubChem 9832912
SureChEMBL SCHEMBL13112872
ZINC ZINC000169649308
CONTENTS