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canSAR1522739
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NAMES
    SMILES
    NCC12CC3CC(C1)C(NC(=O)N1CCN(c4ccc(N5CCN(S(=O)(=O)C6CC6)CC5)cn4)c4ccccc41)C(C3)C2
    InChI
    InChI=1S/C32H43N7O3S/c33-21-32-17-22-15-23(18-32)30(24(16-22)19-32)35-31(40)39-14-13-38(27-3-1-2-4-28(27)39)29-8-5-25(20-34-29)36-9-11-37(12-10-36)43(41,42)26-6-7-26/h1-5,8,20,22-24,26,30H,6-7,9-19,21,33H2,(H,35,40)/t22?,23?,24?,30-,32+
    MOLECULAR FORMULA
    C32H43N7O3S
    CROSS REFERENCES
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    canSAR1522739

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 605.31
    AlogP 3.52
    HBond donors 3
    HBond acceptors 10
    Atoms 86
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1522739.