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canSAR1019350
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NAMES
    SMILES
    CCOC(=O)[C@@H]1CSC(c2ccccc2)N1C(=O)c1cn(CCCCCCO)nn1
    InChI
    InChI=1S/C21H28N4O4S/c1-2-29-21(28)18-15-30-20(16-10-6-5-7-11-16)25(18)19(27)17-14-24(23-22-17)12-8-3-4-9-13-26/h5-7,10-11,14,18,20,26H,2-4,8-9,12-13,15H2,1H3/t18-,20?/m0/s1
    MOLECULAR FORMULA
    C21H28N4O4S
    CROSS REFERENCES
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    canSAR1019350

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.18
    AlogP 2.65
    HBond donors 1
    HBond acceptors 8
    Atoms 58
    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 canSAR1019350.