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canSAR468061
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCc1cccc(OCC(COP(=O)([O-])Oc2ccc(C[n+]3ccsc3)cc2)OC)c1
    InChI
    InChI=1S/C34H50NO6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-30-17-15-18-33(25-30)39-27-34(38-2)28-40-42(36,37)41-32-21-19-31(20-22-32)26-35-23-24-43-29-35/h15,17-25,29,34H,3-14,16,26-28H2,1-2H3
    MOLECULAR FORMULA
    C34H50NO6PS
    CROSS REFERENCES
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    canSAR468061

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 631.31
    AlogP 8.29
    HBond donors 0
    HBond acceptors 7
    Atoms 93
    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 canSAR468061.