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1FA
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NAMES
  • 1FA
SMILES
O=C(O)COc1ccc(Sc2cc(C#CCN3CCOCC3)nc(C#Cc3ccc(C(F)(F)F)cc3)c2)c2c1CCC2
InChI
InChI=1S/C32H27F3N2O4S/c33-32(34,35)23-9-6-22(7-10-23)8-11-25-20-26(19-24(36-25)3-2-14-37-15-17-40-18-16-37)42-30-13-12-29(41-21-31(38)39)27-4-1-5-28(27)30/h6-7,9-10,12-13,19-20H,1,4-5,14-18,21H2,(H,38,39)
MOLECULAR FORMULA
C32H27F3N2O4S
CROSS REFERENCES
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1FA

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 592.16
AlogP 5.29
HBond donors 1
HBond acceptors 6
Atoms 69
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 1FA.