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NEX
FEATURES
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NAMES
  • NEX
SMILES
CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
InChI
InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22-,33-,34-,38+,39+,40-/m0/s1
MOLECULAR FORMULA
C40H56O4
CROSS REFERENCES
  • UniChem: 1077450
  • canSAR: 750147
  • PDBe (Protein Data Bank Europe): NEX
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NEX

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 600.42
AlogP 8.72
HBond donors 3
HBond acceptors 4
Atoms 100
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 NEX.