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canSAR1830399
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NAMES
    SMILES
    COc1cccc(-c2csc(N3CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)n2)c1
    InChI
    InChI=1S/C25H32N4O2S/c1-31-21-4-2-3-20(12-21)22-16-32-24(26-22)29-7-5-28(6-8-29)23(30)27-25-13-17-9-18(14-25)11-19(10-17)15-25/h2-4,12,16-19H,5-11,13-15H2,1H3,(H,27,30)
    MOLECULAR FORMULA
    C25H32N4O2S
    CROSS REFERENCES
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    canSAR1830399

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.22
    AlogP 4.62
    HBond donors 1
    HBond acceptors 6
    Atoms 64
    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 canSAR1830399.