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canSAR1634137
FEATURES
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NAMES
    SMILES
    COCCNC(=O)CCCn1c(SCc2ccccc2C)nc2c(sc3ccccc32)c1=O
    InChI
    InChI=1S/C25H27N3O3S2/c1-17-8-3-4-9-18(17)16-32-25-27-22-19-10-5-6-11-20(19)33-23(22)24(30)28(25)14-7-12-21(29)26-13-15-31-2/h3-6,8-11H,7,12-16H2,1-2H3,(H,26,29)
    MOLECULAR FORMULA
    C25H27N3O3S2
    CROSS REFERENCES
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    canSAR1634137

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.15
    AlogP 4.75
    HBond donors 1
    HBond acceptors 6
    Atoms 60
    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 canSAR1634137.