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canSAR1714543
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C(\C#N)C(=O)NCC2CCCO2)ccc1OCCC(C)C
    InChI
    InChI=1S/C21H28N2O4/c1-15(2)8-10-27-19-7-6-16(12-20(19)25-3)11-17(13-22)21(24)23-14-18-5-4-9-26-18/h6-7,11-12,15,18H,4-5,8-10,14H2,1-3H3,(H,23,24)/b17-11+
    MOLECULAR FORMULA
    C21H28N2O4
    CROSS REFERENCES
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    canSAR1714543

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 372.20
    AlogP 3.32
    HBond donors 1
    HBond acceptors 6
    Atoms 55
    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 canSAR1714543.