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Deserpidine
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NAMES
  • Deserpidine
  • Harmonyl
  • Recanescin
SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
InChI
InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1
MOLECULAR FORMULA
C32H38N2O8
CROSS REFERENCES
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Deserpidine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 578.26
AlogP 4.16
HBond donors 1
HBond acceptors 10
Atoms 80
Contains toxicophore No
Contains PAINS Yes
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS