canSAR1711126
FEATURES
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NAMES
    SMILES
    O=C(NCC#Cc1ccc2nccc(OCC3CCCO3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
    InChI
    InChI=1S/C29H24F2N4O4/c30-24-7-5-20(14-25(24)31)16-35-18-32-15-23(29(35)37)28(36)34-10-1-3-19-6-8-26-22(13-19)27(9-11-33-26)39-17-21-4-2-12-38-21/h5-9,11,13-15,18,21H,2,4,10,12,16-17H2,(H,34,36)
    MOLECULAR FORMULA
    C29H24F2N4O4
    CROSS REFERENCES
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    canSAR1711126
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight530.18
    AlogP3.46
    HBond donors1
    HBond acceptors8
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1711126.