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canSAR15105
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NAMES
    SMILES
    COC(=O)c1cccc2c(/N=N/C(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(OCCCN(C)C)cc3)c(O)[nH]c12
    InChI
    InChI=1S/C29H30ClN5O7S/c1-34(2)16-5-17-42-21-12-14-22(15-13-21)43(39,40)35(20-10-8-19(30)9-11-20)18-25(36)32-33-27-23-6-4-7-24(29(38)41-3)26(23)31-28(27)37/h4,6-15,31,37H,5,16-18H2,1-3H3/b33-32+
    MOLECULAR FORMULA
    C29H30ClN5O7S
    CROSS REFERENCES
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    canSAR15105

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 627.16
    AlogP 5.15
    HBond donors 2
    HBond acceptors 12
    Atoms 73
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR15105.