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canSAR1511620
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NAMES
    SMILES
    Oc1cc(SC(=Nc2ccccc2)Nc2ccccc2)c(O)n1-c1cccc2ccccc12
    InChI
    InChI=1S/C27H21N3O2S/c31-25-18-24(26(32)30(25)23-17-9-11-19-10-7-8-16-22(19)23)33-27(28-20-12-3-1-4-13-20)29-21-14-5-2-6-15-21/h1-18,31-32H,(H,28,29)
    MOLECULAR FORMULA
    C27H21N3O2S
    CROSS REFERENCES
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    canSAR1511620

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.14
    AlogP 6.93
    HBond donors 3
    HBond acceptors 5
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1511620.