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canSAR832724
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NAMES
    SMILES
    O=C(CCCN1CCN(c2cccc3ccccc23)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21
    InChI
    InChI=1S/C32H39N3OS/c36-31(33-32-27-13-4-2-10-25(27)23-37-30-16-6-5-14-28(30)32)17-8-18-34-19-21-35(22-20-34)29-15-7-11-24-9-1-3-12-26(24)29/h1,3,5-7,9,11-12,14-16,25,27,32H,2,4,8,10,13,17-23H2,(H,33,36)/t25-,27+,32+/m0/s1
    MOLECULAR FORMULA
    C32H39N3OS
    CROSS REFERENCES
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    canSAR832724

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 513.28
    AlogP 6.51
    HBond donors 1
    HBond acceptors 4
    Atoms 76
    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 canSAR832724.