canSAR160121
FEATURES
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NAMES
    SMILES
    CCCCCCCN(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)c1ccc(F)cc1F
    InChI
    InChI=1S/C34H39F2N3OS/c1-2-3-4-5-13-22-39(33(40)29-21-20-28(35)25-30(29)36)23-14-8-15-24-41-34-37-31(26-16-9-6-10-17-26)32(38-34)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,38)
    MOLECULAR FORMULA
    C34H39F2N3OS
    CROSS REFERENCES
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    canSAR160121
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight575.28
    AlogP9.40
    HBond donors1
    HBond acceptors4
    Atoms80
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR160121.