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canSAR2048173
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NAMES
    SMILES
    CCn1cc(-c2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)cn1
    InChI
    InChI=1S/C25H24N6S/c1-4-31-14-21(13-27-31)19-7-5-6-18(10-19)16(2)28-25-12-23(29-17(3)30-25)20-8-9-22-24(11-20)32-15-26-22/h5-16H,4H2,1-3H3,(H,28,29,30)/t16-/m0/s1
    MOLECULAR FORMULA
    C25H24N6S
    CROSS REFERENCES
    2048173 logo

    canSAR2048173

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.18
    AlogP 6.12
    HBond donors 1
    HBond acceptors 6
    Atoms 56
    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 canSAR2048173.