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canSAR1502412
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NAMES
    SMILES
    COc1cccc(Cn2c(SCc3ccc(C(=O)N4CCCCC4)cc3)nc3ccncc32)c1
    InChI
    InChI=1S/C27H28N4O2S/c1-33-23-7-5-6-21(16-23)18-31-25-17-28-13-12-24(25)29-27(31)34-19-20-8-10-22(11-9-20)26(32)30-14-3-2-4-15-30/h5-13,16-17H,2-4,14-15,18-19H2,1H3
    MOLECULAR FORMULA
    C27H28N4O2S
    CROSS REFERENCES
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    canSAR1502412

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.19
    AlogP 5.41
    HBond donors 0
    HBond acceptors 6
    Atoms 62
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1502412.