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canSAR1149519
FEATURES
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NAMES
    SMILES
    COc1ccccc1N1CCN(CCCN2C(=O)C3=C(SCCS3)C2=O)CC1
    InChI
    InChI=1S/C20H25N3O3S2/c1-26-16-6-3-2-5-15(16)22-11-9-21(10-12-22)7-4-8-23-19(24)17-18(20(23)25)28-14-13-27-17/h2-3,5-6H,4,7-14H2,1H3
    MOLECULAR FORMULA
    C20H25N3O3S2
    CROSS REFERENCES
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    canSAR1149519

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.13
    AlogP 2.27
    HBond donors 0
    HBond acceptors 6
    Atoms 53
    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 canSAR1149519.