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canSAR1861891
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NAMES
    SMILES
    COc1ccc(OCCSc2nnc(CCNC(=O)c3ccc(OC)cc3)n2C)cc1
    InChI
    InChI=1S/C22H26N4O4S/c1-26-20(12-13-23-21(27)16-4-6-17(28-2)7-5-16)24-25-22(26)31-15-14-30-19-10-8-18(29-3)9-11-19/h4-11H,12-15H2,1-3H3,(H,23,27)
    MOLECULAR FORMULA
    C22H26N4O4S
    CROSS REFERENCES
    1861891 logo

    canSAR1861891

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.17
    AlogP 2.98
    HBond donors 1
    HBond acceptors 8
    Atoms 57
    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 canSAR1861891.