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canSAR1593304
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NAMES
    SMILES
    CCC(C)(C)n1nnnc1C(c1ccc2ncccc2c1)N1CCN(c2nc3ccccc3s2)CC1
    InChI
    InChI=1S/C27H30N8S/c1-4-27(2,3)35-25(30-31-32-35)24(20-11-12-21-19(18-20)8-7-13-28-21)33-14-16-34(17-15-33)26-29-22-9-5-6-10-23(22)36-26/h5-13,18,24H,4,14-17H2,1-3H3
    MOLECULAR FORMULA
    C27H30N8S
    CROSS REFERENCES
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    canSAR1593304

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.23
    AlogP 4.89
    HBond donors 0
    HBond acceptors 8
    Atoms 66
    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 canSAR1593304.