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canSAR1621529
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NAMES
    SMILES
    COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CCN(C(=O)c1cccnc1SC)CC2
    InChI
    InChI=1S/C23H24N4O5S/c1-31-18-13-19(28)27-11-10-26(23(30)16-6-3-8-24-22(16)33-2)9-7-17(27)20(18)21(29)25-14-15-5-4-12-32-15/h3-6,8,12-13H,7,9-11,14H2,1-2H3,(H,25,29)
    MOLECULAR FORMULA
    C23H24N4O5S
    CROSS REFERENCES
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    canSAR1621529

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.15
    AlogP 2.20
    HBond donors 1
    HBond acceptors 9
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1621529.