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canSAR1121157
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NAMES
    SMILES
    Cc1cc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c(Cl)cn2)c(OC(C)C)cc1C1CCN(C)CC1
    InChI
    InChI=1S/C30H39ClN4O3S/c1-19(2)38-28-16-23(22-11-13-35(6)14-12-22)21(5)15-27(28)34-30-17-26(24(31)18-32-30)33-25-9-7-8-10-29(25)39(36,37)20(3)4/h7-10,15-20,22H,11-14H2,1-6H3,(H2,32,33,34)
    MOLECULAR FORMULA
    C30H39ClN4O3S
    CROSS REFERENCES
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    canSAR1121157

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 570.24
    AlogP 7.31
    HBond donors 2
    HBond acceptors 7
    Atoms 78
    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 canSAR1121157.