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canSAR659696
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NAMES
    SMILES
    CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(CCCc1nccn1C)(C(=O)O)C(=O)O
    InChI
    InChI=1S/C25H38N2O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)14-16-25(23(28)29,24(30)31)15-8-13-22-26-17-18-27(22)5/h9,11,14,17-18H,6-8,10,12-13,15-16H2,1-5H3,(H,28,29)(H,30,31)/b20-11+,21-14+
    MOLECULAR FORMULA
    C25H38N2O4
    CROSS REFERENCES
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    canSAR659696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.28
    AlogP 5.71
    HBond donors 2
    HBond acceptors 6
    Atoms 69
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR659696.