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canSAR1017672
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NAMES
    SMILES
    COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3C(=O)c3ccccc3OC)n2)cc1
    InChI
    InChI=1S/C24H25N3O4S/c1-30-17-12-10-16(11-13-17)19-15-32-24(25-19)26-22(28)20-8-5-6-14-27(20)23(29)18-7-3-4-9-21(18)31-2/h3-4,7,9-13,15,20H,5-6,8,14H2,1-2H3,(H,25,26,28)/t20-/m1/s1
    MOLECULAR FORMULA
    C24H25N3O4S
    CROSS REFERENCES
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    canSAR1017672

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.16
    AlogP 4.46
    HBond donors 1
    HBond acceptors 7
    Atoms 57
    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 canSAR1017672.