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canSAR7796
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NAMES
    SMILES
    CCCc1nc(C)n2nc(SC)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
    InChI
    InChI=1S/C24H24N8S/c1-4-7-21-20(23-26-24(33-3)29-32(23)15(2)25-21)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)22-27-30-31-28-22/h5-6,8-13H,4,7,14H2,1-3H3,(H,27,28,30,31)
    MOLECULAR FORMULA
    C24H24N8S
    CROSS REFERENCES
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    canSAR7796

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.18
    AlogP 4.55
    HBond donors 1
    HBond acceptors 8
    Atoms 57
    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 canSAR7796.