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canSAR396796
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NAMES
    SMILES
    O=C(c1c[nH]c2cccc(OCc3ccccc3)c12)[C@@H]1CSC(c2cccnc2)N1
    InChI
    InChI=1S/C24H21N3O2S/c28-23(20-15-30-24(27-20)17-8-5-11-25-12-17)18-13-26-19-9-4-10-21(22(18)19)29-14-16-6-2-1-3-7-16/h1-13,20,24,26-27H,14-15H2/t20-,24?/m0/s1
    MOLECULAR FORMULA
    C24H21N3O2S
    CROSS REFERENCES
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    canSAR396796

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 415.14
    AlogP 4.73
    HBond donors 2
    HBond acceptors 5
    Atoms 51
    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 canSAR396796.