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canSAR786160
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NAMES
    SMILES
    COc1ccc2c(c1)C1(CCC2)CCN(CCCSc2nnc(-c3ocnc3C)n2C)C1
    InChI
    InChI=1S/C24H31N5O2S/c1-17-21(31-16-25-17)22-26-27-23(28(22)2)32-13-5-11-29-12-10-24(15-29)9-4-6-18-7-8-19(30-3)14-20(18)24/h7-8,14,16H,4-6,9-13,15H2,1-3H3
    MOLECULAR FORMULA
    C24H31N5O2S
    CROSS REFERENCES
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    canSAR786160

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.22
    AlogP 4.25
    HBond donors 0
    HBond acceptors 7
    Atoms 63
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR786160.