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canSAR1442877
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NAMES
    SMILES
    COCCn1c(SCc2ccc(C(=O)OC)o2)nnc1-c1c[nH]c2ccccc12
    InChI
    InChI=1S/C20H20N4O4S/c1-26-10-9-24-18(15-11-21-16-6-4-3-5-14(15)16)22-23-20(24)29-12-13-7-8-17(28-13)19(25)27-2/h3-8,11,21H,9-10,12H2,1-2H3
    MOLECULAR FORMULA
    C20H20N4O4S
    CROSS REFERENCES
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    canSAR1442877

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.12
    AlogP 3.74
    HBond donors 1
    HBond acceptors 8
    Atoms 49
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1442877.