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OBACUNONE-7-OXIME ACETATE
FEATURES
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NAMES
  • OBACUNONE-7-OXIME ACETATE
SMILES
CC(=O)O/N=C1\C[C@H]2C(C)(C)OC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]12C
InChI
InChI=1S/C28H33NO8/c1-15(30)37-29-19-13-18-24(2,3)35-20(31)8-10-25(18,4)17-7-11-26(5)21(16-9-12-33-14-16)34-23(32)22-28(26,36-22)27(17,19)6/h8-10,12,14,17-18,21-22H,7,11,13H2,1-6H3/b29-19+/t17-,18+,21-,22-,25-,26+,27+,28-/m1/s1
MOLECULAR FORMULA
C28H33NO8
CROSS REFERENCES
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OBACUNONE-7-OXIME ACETATE

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 511.22
AlogP 4.27
HBond donors 0
HBond acceptors 9
Atoms 70
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by OBACUNONE-7-OXIME ACETATE.