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canSAR1615735
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)NCCCN)ccc1O
    InChI
    InChI=1S/C13H18N2O3/c1-18-12-9-10(3-5-11(12)16)4-6-13(17)15-8-2-7-14/h3-6,9,16H,2,7-8,14H2,1H3,(H,15,17)/b6-4+
    MOLECULAR FORMULA
    C13H18N2O3
    CROSS REFERENCES
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    canSAR1615735

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 250.13
    AlogP 0.88
    HBond donors 4
    HBond acceptors 5
    Atoms 36
    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 canSAR1615735.