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canSAR1085343
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NAMES
    SMILES
    C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(-c3ccsc3)ccnc12
    InChI
    InChI=1S/C25H22N4O3S/c1-16-14-28(24(31)17-5-3-2-4-6-17)10-11-29(16)25(32)23(30)20-13-27-21-19(7-9-26-22(20)21)18-8-12-33-15-18/h2-9,12-13,15-16,27H,10-11,14H2,1H3/t16-/m1/s1
    MOLECULAR FORMULA
    C25H22N4O3S
    CROSS REFERENCES
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    canSAR1085343

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.14
    AlogP 3.85
    HBond donors 1
    HBond acceptors 7
    Atoms 55
    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 canSAR1085343.