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canSAR1432219
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NAMES
    SMILES
    NCC(=O)NC1(c2cc3ccccc3s2)CCCCC1.O=C(O)/C=C/C(=O)O
    InChI
    InChI=1S/C16H20N2OS.C4H4O4/c17-11-15(19)18-16(8-4-1-5-9-16)14-10-12-6-2-3-7-13(12)20-14;5-3(6)1-2-4(7)8/h2-3,6-7,10H,1,4-5,8-9,11,17H2,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+
    MOLECULAR FORMULA
    C20H24N2O5S
    CROSS REFERENCES
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    canSAR1432219

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.14
    AlogP 2.85
    HBond donors 5
    HBond acceptors 7
    Atoms 52
    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 canSAR1432219.