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canSAR5035
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NAMES
    SMILES
    COc1cccc(-c2cc(NS(C)(=O)=O)ccc2COC(c2ccc(C#N)cc2)c2cncn2C)c1
    InChI
    InChI=1S/C27H26N4O4S/c1-31-18-29-16-26(31)27(20-9-7-19(15-28)8-10-20)35-17-22-11-12-23(30-36(3,32)33)14-25(22)21-5-4-6-24(13-21)34-2/h4-14,16,18,27,30H,17H2,1-3H3
    MOLECULAR FORMULA
    C27H26N4O4S
    CROSS REFERENCES
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    canSAR5035

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.17
    AlogP 4.65
    HBond donors 1
    HBond acceptors 8
    Atoms 62
    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 canSAR5035.