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canSAR2053226
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NAMES
    SMILES
    COc1cc(OCc2ccnc(C3COc4ccccc4O3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
    InChI
    InChI=1S/C27H21N5O6S/c1-33-16-9-21(17-11-23(38-22(17)10-16)18-12-32-26(30-18)39-27(31-32)34-2)35-13-15-7-8-28-25(29-15)24-14-36-19-5-3-4-6-20(19)37-24/h3-12,24H,13-14H2,1-2H3
    MOLECULAR FORMULA
    C27H21N5O6S
    CROSS REFERENCES
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    canSAR2053226

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.12
    AlogP 5.10
    HBond donors 0
    HBond acceptors 11
    Atoms 60
    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 canSAR2053226.