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canSAR672044
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)/C=C/c2cccc(OCc3cn(CC(O)COC4=C(C)C(=O)SC4C)nn3)c2)c(OC)c1
    InChI
    InChI=1S/C29H31N3O7S/c1-18-28(19(2)40-29(18)35)39-17-22(33)15-32-14-21(30-31-32)16-38-24-7-5-6-20(12-24)8-11-26(34)25-10-9-23(36-3)13-27(25)37-4/h5-14,19,22,33H,15-17H2,1-4H3/b11-8+
    MOLECULAR FORMULA
    C29H31N3O7S
    CROSS REFERENCES
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    canSAR672044

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.19
    AlogP 4.08
    HBond donors 1
    HBond acceptors 10
    Atoms 71
    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 canSAR672044.