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Aflatreme
FEATURES
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NAMES
  • AFLATREME
SMILES
C=CC(C)(C)c1cccc2[nH]c3c(c12)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C
InChI
InChI=1S/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3/t18-,26-,29+,30+,31+,32-/m0/s1
MOLECULAR FORMULA
C32H39NO4
CROSS REFERENCES
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Aflatreme

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 501.29
AlogP 5.79
HBond donors 2
HBond acceptors 5
Atoms 76
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Aflatreme.