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canSAR1618222
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NAMES
    SMILES
    CCOC(=O)c1c(NC(=O)C(C)Sc2cn(CCNC(=O)c3ccccc3OC)c3ccccc23)sc2c1CCC2
    InChI
    InChI=1S/C31H33N3O5S2/c1-4-39-31(37)27-22-12-9-15-25(22)41-30(27)33-28(35)19(2)40-26-18-34(23-13-7-5-10-20(23)26)17-16-32-29(36)21-11-6-8-14-24(21)38-3/h5-8,10-11,13-14,18-19H,4,9,12,15-17H2,1-3H3,(H,32,36)(H,33,35)
    MOLECULAR FORMULA
    C31H33N3O5S2
    CROSS REFERENCES
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    canSAR1618222

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 591.19
    AlogP 5.93
    HBond donors 2
    HBond acceptors 8
    Atoms 74
    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 canSAR1618222.