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canSAR786548
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NAMES
    SMILES
    COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC
    InChI
    InChI=1S/C23H27N5O3S/c1-30-18-12-14-15(13-19(18)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)20-8-5-11-32-20/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
    MOLECULAR FORMULA
    C23H27N5O3S
    CROSS REFERENCES
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    canSAR786548

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.18
    AlogP 3.56
    HBond donors 2
    HBond acceptors 8
    Atoms 59
    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 canSAR786548.