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canSAR1593721
FEATURES
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NAMES
    SMILES
    COc1cccc(N2CC(C(=O)Nc3nnc(SCCC4OCCO4)s3)CC2=O)c1
    InChI
    InChI=1S/C19H22N4O5S2/c1-26-14-4-2-3-13(10-14)23-11-12(9-15(23)24)17(25)20-18-21-22-19(30-18)29-8-5-16-27-6-7-28-16/h2-4,10,12,16H,5-9,11H2,1H3,(H,20,21,25)
    MOLECULAR FORMULA
    C19H22N4O5S2
    CROSS REFERENCES
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    canSAR1593721

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.10
    AlogP 2.39
    HBond donors 1
    HBond acceptors 9
    Atoms 52
    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 canSAR1593721.