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canSAR1590370
FEATURES
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NAMES
    SMILES
    COc1ccc(NC2CCCN(C(=O)CSc3ccccc3)C2)cc1OC
    InChI
    InChI=1S/C21H26N2O3S/c1-25-19-11-10-16(13-20(19)26-2)22-17-7-6-12-23(14-17)21(24)15-27-18-8-4-3-5-9-18/h3-5,8-11,13,17,22H,6-7,12,14-15H2,1-2H3
    MOLECULAR FORMULA
    C21H26N2O3S
    CROSS REFERENCES
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    canSAR1590370

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 386.17
    AlogP 3.90
    HBond donors 1
    HBond acceptors 5
    Atoms 53
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1590370.