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4LX
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NAMES
  • 4LX
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=S)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC
InChI
InChI=1S/C50H99NO8S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(60)51-42(41-58-50-49(57)48(56)47(55)44(40-52)59-50)46(54)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-57H,3-41H2,1-2H3,(H,51,60)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1
MOLECULAR FORMULA
C50H99NO8S
CROSS REFERENCES
  • UniChem: 100739636
  • canSAR: 1723320
  • PDBe (Protein Data Bank Europe): 4LX
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4LX

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 873.71
AlogP 11.28
HBond donors 7
HBond acceptors 9
Atoms 159
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 4LX.