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canSAR2095714
FEATURES
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NAMES
    SMILES
    Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCN(S(C)(=O)=O)CC3)cc(-c3cncs3)c2)cc1
    InChI
    InChI=1S/C25H30N4O3S2/c1-18-4-6-20(7-5-18)21-12-22(24-15-26-17-33-24)14-23(13-21)25(30)27-19(2)16-28-8-10-29(11-9-28)34(3,31)32/h4-7,12-15,17,19H,8-11,16H2,1-3H3,(H,27,30)/t19-/m1/s1
    MOLECULAR FORMULA
    C25H30N4O3S2
    CROSS REFERENCES
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    canSAR2095714

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.18
    AlogP 3.48
    HBond donors 1
    HBond acceptors 7
    Atoms 64
    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 canSAR2095714.