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canSAR1127306
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NAMES
    SMILES
    COC(=O)[C@H](CO)NCCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12
    InChI
    InChI=1S/C31H30N2O7S/c1-37-31(36)23(18-34)32-11-14-39-25-10-9-20(30-28(25)22-5-2-3-8-26(22)41-30)19-6-4-7-21-24(35)17-27(40-29(19)21)33-12-15-38-16-13-33/h2-10,17,23,32,34H,11-16,18H2,1H3/t23-/m0/s1
    MOLECULAR FORMULA
    C31H30N2O7S
    CROSS REFERENCES
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    canSAR1127306

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 574.18
    AlogP 4.17
    HBond donors 2
    HBond acceptors 9
    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 canSAR1127306.